CID 384413

Nsc674188

Structural Information

Molecular Formula
C21H26N5O9P
SMILES
COC(=O)C(CC1=CNC2=CC=CC=C21)NP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O
InChI
InChI=1S/C21H26N5O9P/c1-33-20(29)14(8-11-9-23-13-5-3-2-4-12(11)13)25-36(31,32)34-10-15-17(27)18(28)19(35-15)26-7-6-16(22)24-21(26)30/h2-7,9,14-15,17-19,23,27-28H,8,10H2,1H3,(H2,22,24,30)(H2,25,31,32)
InChIKey
PAXIHOGDMPLDDH-UHFFFAOYSA-N
Compound name
[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.1468 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.15408 211.5
[M+Na]+ 546.13602 213.5
[M-H]- 522.13952 214.0
[M+NH4]+ 541.18062 212.5
[M+K]+ 562.10996 213.8
[M+H-H2O]+ 506.14406 200.8
[M+HCOO]- 568.14500 227.9
[M+CH3COO]- 582.16065 241.7
[M+Na-2H]- 544.12147 219.6
[M]+ 523.14625 213.0
[M]- 523.14735 213.0
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.