CID 135471420

Kpjbphtuyizmnp-nscuhmnnsa-

Structural Information

Molecular Formula
C9H10N5O5P
SMILES
CC(=O)NC1=NC2=C(C(=O)N1)N=CN2/C=C/P(=O)(O)O
InChI
InChI=1S/C9H10N5O5P/c1-5(15)11-9-12-7-6(8(16)13-9)10-4-14(7)2-3-20(17,18)19/h2-4H,1H3,(H2,17,18,19)(H2,11,12,13,15,16)/b3-2+
InChIKey
KPJBPHTUYIZMNP-NSCUHMNNSA-N
Compound name
[(E)-2-(2-acetamido-6-oxo-1H-purin-9-yl)ethenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.04196 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04924 164.5
[M+Na]+ 322.03118 173.7
[M-H]- 298.03468 160.3
[M+NH4]+ 317.07578 175.2
[M+K]+ 338.00512 170.0
[M+H-H2O]+ 282.03922 154.8
[M+HCOO]- 344.04016 186.0
[M+CH3COO]- 358.05581 195.7
[M+Na-2H]- 320.01663 167.4
[M]+ 299.04141 165.6
[M]- 299.04251 165.6
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.