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]+ 263.07748 154.9
[M+Na]+ 285.05942 162.3
[M-H]- 261.06292 157.2
[M+NH4]+ 280.10402 168.2
[M+K]+ 301.03336 159.3
[M+H-H2O]+ 245.06746 146.8
[M+HCOO]- 307.06840 176.1
[M+CH3COO]- 321.08405 194.9
[M+Na-2H]- 283.04487 156.9
[M]+ 262.06965 152.8
[M]- 262.07075 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.