CID 496873

Nsc701198

Structural Information

Molecular Formula
C26H27N2O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](O2)COP(=O)(OCC(=O)C3=CC=CC=C3)OCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H27N2O9P/c1-18-14-28(26(32)27-25(18)31)24-13-12-21(37-24)15-34-38(33,35-16-22(29)19-8-4-2-5-9-19)36-17-23(30)20-10-6-3-7-11-20/h2-11,14,21,24H,12-13,15-17H2,1H3,(H,27,31,32)/t21-,24+/m1/s1
InChIKey
PZRQZHLWYHNCGM-QPPBQGQZSA-N
Compound name
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl diphenacyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.14545 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.15273 219.7
[M+Na]+ 565.13467 221.6
[M-H]- 541.13817 227.5
[M+NH4]+ 560.17927 219.9
[M+K]+ 581.10861 221.1
[M+H-H2O]+ 525.14271 205.6
[M+HCOO]- 587.14365 238.4
[M+CH3COO]- 601.15930 243.2
[M+Na-2H]- 563.12012 215.8
[M]+ 542.14490 223.8
[M]- 542.14600 223.8
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.