PubChemLite - Azt tp (C11H18N5O11P3)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CCP(=O)(O)OP(=O)(O)P(=O)(O)O)N=[N+]=[N-]

InChI

InChI=1S/C11H18N5O11P3/c1-6-5-16(11(18)13-10(6)17)9-4-7(14-15-12)8(26-9)2-3-28(19,20)27-30(24,25)29(21,22)23/h5,7-9H,2-4H2,1H3,(H,19,20)(H,24,25)(H,13,17,18)(H2,21,22,23)/t7-,8+,9+/m0/s1

InChIKey

FRAGTXDIJDEDKC-DJLDLDEBSA-N

Compound name

[[2-[(2R,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl-hydroxyphosphoryl]oxy-hydroxyphosphoryl]phosphonic acid

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]+	490.02886	205.6
[M+Na]+	512.01080	217.3
[M-H]-	488.01430	218.1
[M+NH4]+	507.05540	212.1
[M+K]+	527.98474	199.7
[M+H-H2O]+	472.01884	175.6
[M+HCOO]-	534.01978	237.0
[M+CH3COO]-	548.03543	225.5
[M+Na-2H]-	509.99625	208.0
[M]+	489.02103	195.9
[M]-	489.02213	195.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.02886

205.6

[M+Na]+

512.01080

217.3

[M-H]-

488.01430

218.1

[M+NH4]+

507.05540

212.1

[M+K]+

527.98474

199.7

[M+H-H2O]+

472.01884

175.6

[M+HCOO]-

534.01978

237.0

[M+CH3COO]-

548.03543

225.5

[M+Na-2H]-

509.99625

208.0

[M]+

489.02103

195.9

[M]-

489.02213

195.9

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

Azt tp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe