CID 43325424

1-benzoyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

Structural Information

Molecular Formula
C17H15NO3
SMILES
C1CC2=C(C=CC(=C2)C(=O)O)N(C1)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO3/c19-16(12-5-2-1-3-6-12)18-10-4-7-13-11-14(17(20)21)8-9-15(13)18/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,21)
InChIKey
QRVBYTHQWPHPFU-UHFFFAOYSA-N
Compound name
1-benzoyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.112476 163.3
[M+Na]+ 304.094418 169.0
[M-H]- 280.097924 167.6
[M+NH4]+ 299.139023 177.4
[M+K]+ 320.068358 164.8
[M+H-H2O]+ 264.102460 154.8
[M+HCOO]- 326.103401 179.6
[M+CH3COO]- 340.119051 197.6
[M+Na-2H]- 302.079866 166.8
[M]+ 281.10465142 160.2
[M]- 281.10574858 160.2
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.