PubChemLite - Dt-5'pnpop (C10H18N3O12P3)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C10H18N3O12P3/c1-6-4-13(10(15)11-9(6)14)8-3-2-7(24-8)5-23-26(16,17)12-27(18,19)25-28(20,21)22/h4,7-8H,2-3,5H2,1H3,(H,11,14,15)(H2,20,21,22)(H3,12,16,17,18,19)/t7-,8+/m0/s1

InChIKey

BMPKCWYTEDUYGN-JGVFFNPUSA-N

Compound name

N-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-phosphonooxyphosphonamidic 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]+	466.01763	189.5
[M+Na]+	487.99957	190.6
[M-H]-	464.00307	184.7
[M+NH4]+	483.04417	185.3
[M+K]+	503.97351	194.1
[M+H-H2O]+	448.00761	175.9
[M+HCOO]-	510.00855	211.3
[M+CH3COO]-	524.02420	222.6
[M+Na-2H]-	485.98502	189.7
[M]+	465.00980	190.5
[M]-	465.01090	190.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.01763

189.5

[M+Na]+

487.99957

190.6

[M-H]-

464.00307

184.7

[M+NH4]+

483.04417

185.3

[M+K]+

503.97351

194.1

[M+H-H2O]+

448.00761

175.9

[M+HCOO]-

510.00855

211.3

[M+CH3COO]-

524.02420

222.6

[M+Na-2H]-

485.98502

189.7

[M]+

465.00980

190.5

[M]-

465.01090

190.5

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

Dt-5'pnpop

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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