PubChemLite - 115365-26-9 (C17H26ClN2O9P)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)CP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)CCCl)O

InChI

InChI=1S/C17H26ClN2O9P/c1-17(2,3)29-14(22)9-30(25,26)27-8-12-11(21)6-13(28-12)20-7-10(4-5-18)15(23)19-16(20)24/h7,11-13,21H,4-6,8-9H2,1-3H3,(H,25,26)(H,19,23,24)/t11-,12+,13+/m0/s1

InChIKey

CDSNBGDLZXDVKK-YNEHKIRRSA-N

Compound name

[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phosphinic 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]+	469.11373	200.1
[M+Na]+	491.09567	205.7
[M-H]-	467.09917	200.5
[M+NH4]+	486.14027	205.6
[M+K]+	507.06961	204.4
[M+H-H2O]+	451.10371	191.8
[M+HCOO]-	513.10465	211.9
[M+CH3COO]-	527.12030	224.1
[M+Na-2H]-	489.08112	198.3
[M]+	468.10590	207.1
[M]-	468.10700	207.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.11373

200.1

[M+Na]+

491.09567

205.7

[M-H]-

467.09917

200.5

[M+NH4]+

486.14027

205.6

[M+K]+

507.06961

204.4

[M+H-H2O]+

451.10371

191.8

[M+HCOO]-

513.10465

211.9

[M+CH3COO]-

527.12030

224.1

[M+Na-2H]-

489.08112

198.3

[M]+

468.10590

207.1

[M]-

468.10700

207.1

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

115365-26-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe