CID 18581

3215-88-1

Structural Information

Molecular Formula
C23H31NO
SMILES
CC1=CC(=CC=C1)C(C(C)(C)CCC(=O)C2=CC=CC(=C2)C)N(C)C
InChI
InChI=1S/C23H31NO/c1-17-9-7-11-19(15-17)21(25)13-14-23(3,4)22(24(5)6)20-12-8-10-18(2)16-20/h7-12,15-16,22H,13-14H2,1-6H3
InChIKey
PBMZNCPYXLIKTF-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-4,4-dimethyl-1,5-bis(3-methylphenyl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24057 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24785 186.6
[M+Na]+ 360.22979 198.9
[M+NH4]+ 355.27439 194.2
[M+K]+ 376.20373 191.7
[M-H]- 336.23329 191.3
[M+Na-2H]- 358.21524 194.2
[M]+ 337.24002 189.8
[M]- 337.24112 189.8
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.