CID 5271914

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

Structural Information

Molecular Formula
C10H10N4O2
SMILES
C1=CC(=C(C=C1C(=O)O)N2C=CN=C2N)N
InChI
InChI=1S/C10H10N4O2/c11-7-2-1-6(9(15)16)5-8(7)14-4-3-13-10(14)12/h1-5H,11H2,(H2,12,13)(H,15,16)
InChIKey
IMVGYYZVAQWJED-UHFFFAOYSA-N
Compound name
4-amino-3-(2-aminoimidazol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08037 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08765 145.8
[M+Na]+ 241.06959 154.5
[M-H]- 217.07309 148.9
[M+NH4]+ 236.11419 161.7
[M+K]+ 257.04353 150.8
[M+H-H2O]+ 201.07763 137.8
[M+HCOO]- 263.07857 168.7
[M+CH3COO]- 277.09422 189.4
[M+Na-2H]- 239.05504 148.7
[M]+ 218.07982 142.8
[M]- 218.08092 142.8
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.