CID 6533511

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

Structural Information

Molecular Formula
C21H17NO2
SMILES
CC1=CC=C(C=C1)/C=C/2\CCC3=C(C4=CC=CC=C4N=C23)C(=O)O
InChI
InChI=1S/C21H17NO2/c1-13-6-8-14(9-7-13)12-15-10-11-17-19(21(23)24)16-4-2-3-5-18(16)22-20(15)17/h2-9,12H,10-11H2,1H3,(H,23,24)/b15-12+
InChIKey
AQZUAQLERJKCMY-NTCAYCPXSA-N
Compound name
(3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.12592 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13320 175.2
[M+Na]+ 338.11514 190.3
[M+NH4]+ 333.15974 184.0
[M+K]+ 354.08908 183.3
[M-H]- 314.11864 179.6
[M+Na-2H]- 336.10059 181.7
[M]+ 315.12537 178.7
[M]- 315.12647 178.7
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.