CID 148200

Zonampanel

Structural Information

Molecular Formula
C13H9N5O6
SMILES
C1=CN(C=N1)C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C13H9N5O6/c19-11(20)5-17-8-4-9(16-2-1-14-6-16)10(18(23)24)3-7(8)15-12(21)13(17)22/h1-4,6H,5H2,(H,15,21)(H,19,20)
InChIKey
SPXYHZRWPRQLNS-UHFFFAOYSA-N
Compound name
2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

45
References

707
Patents

331.0553 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.06258 167.3
[M+Na]+ 354.04452 177.2
[M-H]- 330.04802 169.5
[M+NH4]+ 349.08912 176.0
[M+K]+ 370.01846 168.2
[M+H-H2O]+ 314.05256 162.5
[M+HCOO]- 376.05350 186.5
[M+CH3COO]- 390.06915 196.9
[M+Na-2H]- 352.02997 174.8
[M]+ 331.05475 168.2
[M]- 331.05585 168.2
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