CID 49769350

1-(5-chloro-1h-benzimidazol-2-yl)-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C17H10ClN3O3
SMILES
C1=CC2=C(C=C(C(=O)N2C=C1)C(=O)O)C3=NC4=C(N3)C=C(C=C4)Cl
InChI
InChI=1S/C17H10ClN3O3/c18-9-4-5-12-13(7-9)20-15(19-12)10-8-11(17(23)24)16(22)21-6-2-1-3-14(10)21/h1-8H,(H,19,20)(H,23,24)
InChIKey
LOIYPZWKVPQZBL-UHFFFAOYSA-N
Compound name
1-(6-chloro-1H-benzimidazol-2-yl)-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.04108 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04836 174.2
[M+Na]+ 362.03030 187.2
[M-H]- 338.03380 177.8
[M+NH4]+ 357.07490 187.2
[M+K]+ 378.00424 179.1
[M+H-H2O]+ 322.03834 165.8
[M+HCOO]- 384.03928 187.3
[M+CH3COO]- 398.05493 185.2
[M+Na-2H]- 360.01575 178.7
[M]+ 339.04053 178.4
[M]- 339.04163 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.