CID 5271908

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

Structural Information

Molecular Formula
C17H14N4O7
SMILES
COC(=O)C1=COC(=C1)C2=CN(C(=N2)N)C3=C(C=CC(=C3)C(=O)O)NC(=O)O
InChI
InChI=1S/C17H14N4O7/c1-27-15(24)9-5-13(28-7-9)11-6-21(16(18)19-11)12-4-8(14(22)23)2-3-10(12)20-17(25)26/h2-7,20H,1H3,(H2,18,19)(H,22,23)(H,25,26)
InChIKey
OFJJXFINSXNLMM-UHFFFAOYSA-N
Compound name
3-[2-amino-4-(4-methoxycarbonylfuran-2-yl)imidazol-1-yl]-4-(carboxyamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.08624 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.09352 183.9
[M+Na]+ 409.07546 191.1
[M-H]- 385.07896 191.4
[M+NH4]+ 404.12006 192.3
[M+K]+ 425.04940 190.1
[M+H-H2O]+ 369.08350 175.4
[M+HCOO]- 431.08444 205.2
[M+CH3COO]- 445.10009 218.5
[M+Na-2H]- 407.06091 182.4
[M]+ 386.08569 187.8
[M]- 386.08679 187.8
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.