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]+ 304.169596 173.2
[M+Na]+ 326.151538 179.9
[M-H]- 302.155044 180.5
[M+NH4]+ 321.196143 188.8
[M+K]+ 342.125478 174.2
[M+H-H2O]+ 286.159580 164.5
[M+HCOO]- 348.160521 195.2
[M+CH3COO]- 362.176171 211.1
[M+Na-2H]- 324.136986 177.6
[M]+ 303.16177142 173.8
[M]- 303.16286858 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.