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 189.9
[M+Na]+ 380.16210 197.3
[M-H]- 356.16560 195.7
[M+NH4]+ 375.20670 204.5
[M+K]+ 396.13604 190.4
[M+H-H2O]+ 340.17014 181.9
[M+HCOO]- 402.17108 204.8
[M+CH3COO]- 416.18673 199.4
[M+Na-2H]- 378.14755 191.2
[M]+ 357.17233 189.5
[M]- 357.17343 189.5
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.