CID 6516998

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

Structural Information

Molecular Formula
C24H23NO2
SMILES
CC(C)(C)C1=CC=C(C=C1)/C=C/2\CCC3=C(C4=CC=CC=C4N=C23)C(=O)O
InChI
InChI=1S/C24H23NO2/c1-24(2,3)17-11-8-15(9-12-17)14-16-10-13-19-21(23(26)27)18-6-4-5-7-20(18)25-22(16)19/h4-9,11-12,14H,10,13H2,1-3H3,(H,26,27)/b16-14+
InChIKey
HDOAWHDGWAGPFR-JQIJEIRASA-N
Compound name
(3E)-3-[(4-tert-butylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.17288 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18016 188.1
[M+Na]+ 380.16210 202.1
[M+NH4]+ 375.20670 196.1
[M+K]+ 396.13604 195.8
[M-H]- 356.16560 191.8
[M+Na-2H]- 378.14755 193.8
[M]+ 357.17233 191.3
[M]- 357.17343 191.3
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.