CID 49769349

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

Structural Information

Molecular Formula
C17H11N3O3
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=C4C=CC=CN4C(=O)C(=C3)C(=O)O
InChI
InChI=1S/C17H11N3O3/c21-16-11(17(22)23)9-10(14-7-3-4-8-20(14)16)15-18-12-5-1-2-6-13(12)19-15/h1-9H,(H,18,19)(H,22,23)
InChIKey
RAFZJLNZUNKHKH-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.08005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08733 168.1
[M+Na]+ 328.06927 179.5
[M-H]- 304.07277 171.6
[M+NH4]+ 323.11387 181.3
[M+K]+ 344.04321 172.5
[M+H-H2O]+ 288.07731 159.1
[M+HCOO]- 350.07825 185.9
[M+CH3COO]- 364.09390 179.2
[M+Na-2H]- 326.05472 173.8
[M]+ 305.07950 169.6
[M]- 305.08060 169.6
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.