CID 396026

Nsc701201

Structural Information

Molecular Formula
C26H25N2O9P
SMILES
CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(OCC(=O)C3=CC=CC=C3)OCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H25N2O9P/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/h2-14,21,24H,15-17H2,1H3,(H,27,31,32)
InChIKey
QJAKRDLZNFOHTL-UHFFFAOYSA-N
Compound name
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl diphenacyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.12976 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.13704 219.5
[M+Na]+ 563.11898 222.3
[M-H]- 539.12248 227.8
[M+NH4]+ 558.16358 219.8
[M+K]+ 579.09292 221.7
[M+H-H2O]+ 523.12702 205.3
[M+HCOO]- 585.12796 239.6
[M+CH3COO]- 599.14361 242.8
[M+Na-2H]- 561.10443 216.3
[M]+ 540.12921 224.9
[M]- 540.13031 224.9
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.