CID 4563863

477319-13-4

Structural Information

Molecular Formula
C18H21NO
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=CC(=C(C=C2)C)C
InChI
InChI=1S/C18H21NO/c1-13-4-7-16(8-5-13)18(20)10-11-19-17-9-6-14(2)15(3)12-17/h4-9,12,19H,10-11H2,1-3H3
InChIKey
OATZBCJRZYTJNB-UHFFFAOYSA-N
Compound name
3-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 165.3
[M+Na]+ 290.15154 179.6
[M+NH4]+ 285.19614 173.9
[M+K]+ 306.12548 171.0
[M-H]- 266.15504 170.8
[M+Na-2H]- 288.13699 174.1
[M]+ 267.16177 169.0
[M]- 267.16287 169.0
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.