CID 481727

2-acetyl-n'-(2-chlorophenyl)-n-(1-naphthyl)butanediamide

Structural Information

Molecular Formula
C22H19ClN2O3
SMILES
CC(=O)C(CC(=O)NC1=CC=CC=C1Cl)C(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H19ClN2O3/c1-14(26)17(13-21(27)24-20-11-5-4-10-18(20)23)22(28)25-19-12-6-8-15-7-2-3-9-16(15)19/h2-12,17H,13H2,1H3,(H,24,27)(H,25,28)
InChIKey
YFKZMOCAXWCPNH-UHFFFAOYSA-N
Compound name
2-acetyl-N'-(2-chlorophenyl)-N-naphthalen-1-ylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.10843 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.11571 191.8
[M+Na]+ 417.09765 196.6
[M-H]- 393.10115 198.6
[M+NH4]+ 412.14225 203.5
[M+K]+ 433.07159 191.2
[M+H-H2O]+ 377.10569 183.7
[M+HCOO]- 439.10663 208.0
[M+CH3COO]- 453.12228 225.6
[M+Na-2H]- 415.08310 193.4
[M]+ 394.10788 194.0
[M]- 394.10898 194.0
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.