CID 2839684

84825-21-8

Structural Information

Molecular Formula
C24H31NO
SMILES
CCCCC1=CC=C(C=C1)C2(CC(N(C3=CC=CC=C32)C(=O)C)(C)C)C
InChI
InChI=1S/C24H31NO/c1-6-7-10-19-13-15-20(16-14-19)24(5)17-23(3,4)25(18(2)26)22-12-9-8-11-21(22)24/h8-9,11-16H,6-7,10,17H2,1-5H3
InChIKey
WJMXZSHYYUTPJP-UHFFFAOYSA-N
Compound name
1-[4-(4-butylphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.24057 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.247846 187.7
[M+Na]+ 372.229788 195.1
[M-H]- 348.233294 193.5
[M+NH4]+ 367.274393 204.9
[M+K]+ 388.203728 189.6
[M+H-H2O]+ 332.237830 178.7
[M+HCOO]- 394.238771 203.6
[M+CH3COO]- 408.254421 217.9
[M+Na-2H]- 370.215236 189.6
[M]+ 349.24002142 188.7
[M]- 349.24111858 188.7
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.