PubChemLite - [[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-methoxy-phosphoryl]formamide (C12H17N6O7P)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C(=O)N)OC)N=[N+]=[N-]

InChI

InChI=1S/C12H17N6O7P/c1-6-4-18(12(21)15-10(6)19)9-3-7(16-17-14)8(25-9)5-24-26(22,23-2)11(13)20/h4,7-9H,3,5H2,1-2H3,(H2,13,20)(H,15,19,21)/t7-,8+,9+,26?/m0/s1

InChIKey

FGCZVHFULXGOPH-MGALGIGHSA-N

Compound name

[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphoryl]formamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	389.09691	178.3
[M+Na]+	411.07885	183.2
[M-H]-	387.08235	183.8
[M+NH4]+	406.12345	186.4
[M+K]+	427.05279	178.6
[M+H-H2O]+	371.08689	171.5
[M+HCOO]-	433.08783	207.2
[M+CH3COO]-	447.10348	219.7
[M+Na-2H]-	409.06430	184.0
[M]+	388.08908	178.1
[M]-	388.09018	178.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.09691

178.3

[M+Na]+

411.07885

183.2

[M-H]-

387.08235

183.8

[M+NH4]+

406.12345

186.4

[M+K]+

427.05279

178.6

[M+H-H2O]+

371.08689

171.5

[M+HCOO]-

433.08783

207.2

[M+CH3COO]-

447.10348

219.7

[M+Na-2H]-

409.06430

184.0

[M]+

388.08908

178.1

[M]-

388.09018

178.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

[[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-methoxy-phosphoryl]formamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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