CID 496874

Nsc701199

Structural Information

Molecular Formula
C22H35N2O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](O2)COP(=O)(OCC(=O)C(C)(C)C)OCC(=O)C(C)(C)C
InChI
InChI=1S/C22H35N2O9P/c1-14-10-24(20(28)23-19(14)27)18-9-8-15(33-18)11-30-34(29,31-12-16(25)21(2,3)4)32-13-17(26)22(5,6)7/h10,15,18H,8-9,11-13H2,1-7H3,(H,23,27,28)/t15-,18+/m1/s1
InChIKey
SERKIWDXCSXKCM-QAPCUYQASA-N
Compound name
bis(3,3-dimethyl-2-oxobutyl) [(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.208 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.21528 212.9
[M+Na]+ 525.19722 216.0
[M-H]- 501.20072 215.0
[M+NH4]+ 520.24182 217.1
[M+K]+ 541.17116 217.6
[M+H-H2O]+ 485.20526 203.8
[M+HCOO]- 547.20620 228.2
[M+CH3COO]- 561.22185 238.4
[M+Na-2H]- 523.18267 211.8
[M]+ 502.20745 221.1
[M]- 502.20855 221.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.