CID 4637308

3-[(4-chlorophenyl)methylidene]-1h,2h,3h-cyclopenta[b]quinoline-9-carboxylic acid

Structural Information

Molecular Formula
C20H14ClNO2
SMILES
C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CC=C(C=C4)Cl)C(=O)O
InChI
InChI=1S/C20H14ClNO2/c21-14-8-5-12(6-9-14)11-13-7-10-16-18(20(23)24)15-3-1-2-4-17(15)22-19(13)16/h1-6,8-9,11H,7,10H2,(H,23,24)
InChIKey
KVJSBURZPOBEQI-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 176.6
[M+Na]+ 358.06054 192.7
[M+NH4]+ 353.10514 185.8
[M+K]+ 374.03448 185.0
[M-H]- 334.06404 181.1
[M+Na-2H]- 356.04599 183.4
[M]+ 335.07077 180.5
[M]- 335.07187 180.5
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.