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]+ 350.24785 187.7
[M+Na]+ 372.22979 195.1
[M-H]- 348.23329 193.5
[M+NH4]+ 367.27439 204.9
[M+K]+ 388.20373 189.6
[M+H-H2O]+ 332.23783 178.7
[M+HCOO]- 394.23877 203.6
[M+CH3COO]- 408.25442 217.9
[M+Na-2H]- 370.21524 189.6
[M]+ 349.24002 188.7
[M]- 349.24112 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.