CID 3665760

3-[(2-chlorophenyl)methylene]-2,3-dihydro-1h-cyclopenta[b]quinoline-9-carboxylic acid

Structural Information

Molecular Formula
C20H14ClNO2
SMILES
C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CC=CC=C4Cl)C(=O)O
InChI
InChI=1S/C20H14ClNO2/c21-16-7-3-1-5-12(16)11-13-9-10-15-18(20(23)24)14-6-2-4-8-17(14)22-19(13)15/h1-8,11H,9-10H2,(H,23,24)
InChIKey
DBLZUTWTBPGNJZ-UHFFFAOYSA-N
Compound name
3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.07132 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.07860 178.0
[M+Na]+ 358.06054 187.8
[M-H]- 334.06404 184.0
[M+NH4]+ 353.10514 194.3
[M+K]+ 374.03448 179.4
[M+H-H2O]+ 318.06858 170.5
[M+HCOO]- 380.06952 191.4
[M+CH3COO]- 394.08517 188.7
[M+Na-2H]- 356.04599 179.9
[M]+ 335.07077 179.2
[M]- 335.07187 179.2
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.