CID 5491960

Becampanel

Structural Information

Molecular Formula
C10H11N4O7P
SMILES
C1=C(C=C2C(=C1CNCP(=O)(O)O)NC(=O)C(=O)N2)[N+](=O)[O-]
InChI
InChI=1S/C10H11N4O7P/c15-9-10(16)13-8-5(3-11-4-22(19,20)21)1-6(14(17)18)2-7(8)12-9/h1-2,11H,3-4H2,(H,12,15)(H,13,16)(H2,19,20,21)
InChIKey
ABFMMCZFKUIJGQ-UHFFFAOYSA-N
Compound name
[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

191
Patents

330.03653 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04381 162.9
[M+Na]+ 353.02575 171.9
[M+NH4]+ 348.07035 164.8
[M+K]+ 368.99969 173.8
[M-H]- 329.02925 160.4
[M+Na-2H]- 351.01120 163.7
[M]+ 330.03598 162.6
[M]- 330.03708 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe