CID 481731

2-acetyl-n-(1-naphthyl)-n'-(p-tolyl)butanediamide

Structural Information

Molecular Formula
C23H22N2O3
SMILES
CC1=CC=C(C=C1)NC(=O)CC(C(=O)C)C(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H22N2O3/c1-15-10-12-18(13-11-15)24-22(27)14-20(16(2)26)23(28)25-21-9-5-7-17-6-3-4-8-19(17)21/h3-13,20H,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKey
JQYQFJBZCRTFSK-UHFFFAOYSA-N
Compound name
2-acetyl-N'-(4-methylphenyl)-N-naphthalen-1-ylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.16306 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.17034 190.2
[M+Na]+ 397.15228 193.5
[M-H]- 373.15578 196.8
[M+NH4]+ 392.19688 201.6
[M+K]+ 413.12622 189.6
[M+H-H2O]+ 357.16032 180.9
[M+HCOO]- 419.16126 210.3
[M+CH3COO]- 433.17691 225.1
[M+Na-2H]- 395.13773 191.5
[M]+ 374.16251 189.9
[M]- 374.16361 189.9
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.