CID 481726

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

Structural Information

Molecular Formula
C22H20N2O3
SMILES
CC(=O)C(CC(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H20N2O3/c1-15(25)19(14-21(26)23-17-10-3-2-4-11-17)22(27)24-20-13-7-9-16-8-5-6-12-18(16)20/h2-13,19H,14H2,1H3,(H,23,26)(H,24,27)
InChIKey
KRDPMAXWKXTPDO-UHFFFAOYSA-N
Compound name
2-acetyl-N-naphthalen-1-yl-N'-phenylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1474 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15468 185.4
[M+Na]+ 383.13662 188.3
[M-H]- 359.14012 191.9
[M+NH4]+ 378.18122 197.1
[M+K]+ 399.11056 184.4
[M+H-H2O]+ 343.14466 176.1
[M+HCOO]- 405.14560 205.9
[M+CH3COO]- 419.16125 220.9
[M+Na-2H]- 381.12207 188.0
[M]+ 360.14685 184.4
[M]- 360.14795 184.4
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.