CID 5271907

3-[2-amino-4-(2-furyl)imidazol-1-yl]-4-(carboxyamino)benzoic acid

Structural Information

Molecular Formula
C15H12N4O5
SMILES
C1=COC(=C1)C2=CN(C(=N2)N)C3=C(C=CC(=C3)C(=O)O)NC(=O)O
InChI
InChI=1S/C15H12N4O5/c16-14-17-10(12-2-1-5-24-12)7-19(14)11-6-8(13(20)21)3-4-9(11)18-15(22)23/h1-7,18H,(H2,16,17)(H,20,21)(H,22,23)
InChIKey
IZXHZWBKNRVNKE-UHFFFAOYSA-N
Compound name
3-[2-amino-4-(furan-2-yl)imidazol-1-yl]-4-(carboxyamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.08078 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08806 170.4
[M+Na]+ 351.07000 178.5
[M-H]- 327.07350 177.7
[M+NH4]+ 346.11460 181.4
[M+K]+ 367.04394 176.1
[M+H-H2O]+ 311.07804 162.0
[M+HCOO]- 373.07898 193.0
[M+CH3COO]- 387.09463 206.7
[M+Na-2H]- 349.05545 171.2
[M]+ 328.08023 172.0
[M]- 328.08133 172.0
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.