CID 1476756

Bqca

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

61
Patents

309.1001 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 169.3
[M+Na]+ 332.08932 178.5
[M-H]- 308.09282 174.9
[M+NH4]+ 327.13392 182.9
[M+K]+ 348.06326 173.9
[M+H-H2O]+ 292.09736 160.4
[M+HCOO]- 354.09830 189.2
[M+CH3COO]- 368.11395 204.4
[M+Na-2H]- 330.07477 174.0
[M]+ 309.09955 172.3
[M]- 309.10065 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