CID 4563863

3-(3,4-dimethylanilino)-1-(4-methylphenyl)-1-propanone

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]+ 268.169596 164.0
[M+Na]+ 290.151538 170.8
[M-H]- 266.155044 170.8
[M+NH4]+ 285.196143 180.5
[M+K]+ 306.125478 166.4
[M+H-H2O]+ 250.159580 156.2
[M+HCOO]- 312.160521 187.5
[M+CH3COO]- 326.176171 204.4
[M+Na-2H]- 288.136986 166.9
[M]+ 267.16177142 165.1
[M]- 267.16286858 165.1
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.