CID 49769351

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

Structural Information

Molecular Formula
C18H13N3O4
SMILES
COC1=CC2=C(C=C1)N=C(N2)C3=C4C=CC=CN4C(=O)C(=C3)C(=O)O
InChI
InChI=1S/C18H13N3O4/c1-25-10-5-6-13-14(8-10)20-16(19-13)11-9-12(18(23)24)17(22)21-7-3-2-4-15(11)21/h2-9H,1H3,(H,19,20)(H,23,24)
InChIKey
NGZJBEBKVMBYPS-UHFFFAOYSA-N
Compound name
1-(6-methoxy-1H-benzimidazol-2-yl)-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.0906 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09788 176.0
[M+Na]+ 358.07982 187.5
[M-H]- 334.08332 179.7
[M+NH4]+ 353.12442 188.1
[M+K]+ 374.05376 181.1
[M+H-H2O]+ 318.08786 166.8
[M+HCOO]- 380.08880 193.4
[M+CH3COO]- 394.10445 186.7
[M+Na-2H]- 356.06527 180.5
[M]+ 335.09005 179.6
[M]- 335.09115 179.6
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.