CID 499508

Nsc682700

Structural Information

Molecular Formula
C22H25N4O8P
SMILES
CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(NC(CC3=CNC4=CC=CC=C43)C(=O)OC)O
InChI
InChI=1S/C22H25N4O8P/c1-13-11-26(22(29)24-20(13)27)19-8-7-15(34-19)12-33-35(30,31)25-18(21(28)32-2)9-14-10-23-17-6-4-3-5-16(14)17/h3-8,10-11,15,18-19,23H,9,12H2,1-2H3,(H,24,27,29)(H2,25,30,31)
InChIKey
NHXYRNUOGNQNGZ-UHFFFAOYSA-N
Compound name
N-[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.141 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.14828 211.3
[M+Na]+ 527.13022 215.2
[M-H]- 503.13372 215.3
[M+NH4]+ 522.17482 214.2
[M+K]+ 543.10416 214.0
[M+H-H2O]+ 487.13826 200.2
[M+HCOO]- 549.13920 229.8
[M+CH3COO]- 563.15485 235.9
[M+Na-2H]- 525.11567 208.4
[M]+ 504.14045 215.2
[M]- 504.14155 215.2
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.