CID 481735

2-acetyl-n,n'-bis(1-naphthyl)butanediamide

Structural Information

Molecular Formula
C26H22N2O3
SMILES
CC(=O)C(CC(=O)NC1=CC=CC2=CC=CC=C21)C(=O)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H22N2O3/c1-17(29)22(26(31)28-24-15-7-11-19-9-3-5-13-21(19)24)16-25(30)27-23-14-6-10-18-8-2-4-12-20(18)23/h2-15,22H,16H2,1H3,(H,27,30)(H,28,31)
InChIKey
JSNRBAWHUGYGFV-UHFFFAOYSA-N
Compound name
2-acetyl-N,N'-dinaphthalen-1-ylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.16306 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17034 197.6
[M+Na]+ 433.15228 201.5
[M-H]- 409.15578 205.0
[M+NH4]+ 428.19688 208.1
[M+K]+ 449.12622 196.5
[M+H-H2O]+ 393.16032 187.4
[M+HCOO]- 455.16126 217.4
[M+CH3COO]- 469.17691 231.6
[M+Na-2H]- 431.13773 201.6
[M]+ 410.16251 198.2
[M]- 410.16361 198.2
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.