CID 1476756

1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C18H15NO4
SMILES
COC1=CC=C(C=C1)CN2C=C(C(=O)C3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
InChIKey
BZBBTGCKPRSPGF-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

43
References

75
Patents

309.1001 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.107376 169.3
[M+Na]+ 332.089318 178.5
[M-H]- 308.092824 174.9
[M+NH4]+ 327.133923 182.9
[M+K]+ 348.063258 173.9
[M+H-H2O]+ 292.097360 160.4
[M+HCOO]- 354.098301 189.2
[M+CH3COO]- 368.113951 204.4
[M+Na-2H]- 330.074766 174.0
[M]+ 309.09955142 172.3
[M]- 309.10064858 172.3
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

patents stripe