CID 18580

3215-87-0

Structural Information

Molecular Formula
C23H31NO
SMILES
CC1=CC=C(C=C1)C(C(C)(C)CCC(=O)C2=CC=C(C=C2)C)N(C)C
InChI
InChI=1S/C23H31NO/c1-17-7-11-19(12-8-17)21(25)15-16-23(3,4)22(24(5)6)20-13-9-18(2)10-14-20/h7-14,22H,15-16H2,1-6H3
InChIKey
WEQPIUHSPPACCR-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-4,4-dimethyl-1,5-bis(4-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 185.4
[M+Na]+ 360.22979 189.4
[M-H]- 336.23329 192.7
[M+NH4]+ 355.27439 199.3
[M+K]+ 376.20373 186.3
[M+H-H2O]+ 320.23783 177.0
[M+HCOO]- 382.23877 205.1
[M+CH3COO]- 396.25442 222.8
[M+Na-2H]- 358.21524 185.3
[M]+ 337.24002 188.0
[M]- 337.24112 188.0
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.