CID 4083926

3-(4-ethylanilino)-1-(2-naphthyl)-1-propanone

Structural Information

Molecular Formula
C21H21NO
SMILES
CCC1=CC=C(C=C1)NCCC(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C21H21NO/c1-2-16-7-11-20(12-8-16)22-14-13-21(23)19-10-9-17-5-3-4-6-18(17)15-19/h3-12,15,22H,2,13-14H2,1H3
InChIKey
RVJYUQIACFHCFL-UHFFFAOYSA-N
Compound name
3-(4-ethylanilino)-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 173.0
[M+Na]+ 326.151538 178.8
[M-H]- 302.155044 179.9
[M+NH4]+ 321.196143 188.3
[M+K]+ 342.125478 173.0
[M+H-H2O]+ 286.159580 164.2
[M+HCOO]- 348.160521 195.1
[M+CH3COO]- 362.176171 209.9
[M+Na-2H]- 324.136986 178.2
[M]+ 303.16177142 173.3
[M]- 303.16286858 173.3
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.