CID 5271911

3-(2-aminoimidazol-1-yl)-4-(carboxyamino)benzoic acid

Structural Information

Molecular Formula
C11H10N4O4
SMILES
C1=CC(=C(C=C1C(=O)O)N2C=CN=C2N)NC(=O)O
InChI
InChI=1S/C11H10N4O4/c12-10-13-3-4-15(10)8-5-6(9(16)17)1-2-7(8)14-11(18)19/h1-5,14H,(H2,12,13)(H,16,17)(H,18,19)
InChIKey
ZFCFTXDHYYCFTD-UHFFFAOYSA-N
Compound name
3-(2-aminoimidazol-1-yl)-4-(carboxyamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0702 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.077476 154.9
[M+Na]+ 285.059418 162.3
[M-H]- 261.062924 157.2
[M+NH4]+ 280.104023 168.2
[M+K]+ 301.033358 159.3
[M+H-H2O]+ 245.067460 146.8
[M+HCOO]- 307.068401 176.1
[M+CH3COO]- 321.084051 194.9
[M+Na-2H]- 283.044866 156.9
[M]+ 262.06965142 152.8
[M]- 262.07074858 152.8
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.