CID 5101430

3-(3,4-dimethylanilino)-1-(2-naphthyl)-1-propanone

Structural Information

Molecular Formula
C21H21NO
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC3=CC=CC=C3C=C2)C
InChI
InChI=1S/C21H21NO/c1-15-7-10-20(13-16(15)2)22-12-11-21(23)19-9-8-17-5-3-4-6-18(17)14-19/h3-10,13-14,22H,11-12H2,1-2H3
InChIKey
AQXSAWHCXIOKIP-UHFFFAOYSA-N
Compound name
3-(3,4-dimethylanilino)-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.16232 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16960 173.2
[M+Na]+ 326.15154 179.9
[M-H]- 302.15504 180.5
[M+NH4]+ 321.19614 188.8
[M+K]+ 342.12548 174.2
[M+H-H2O]+ 286.15958 164.5
[M+HCOO]- 348.16052 195.2
[M+CH3COO]- 362.17617 211.1
[M+Na-2H]- 324.13699 177.6
[M]+ 303.16177 173.8
[M]- 303.16287 173.8
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.