CID 479983

Akos003877288

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C22H28N2O2/c1-15(2)17-5-9-19(10-6-17)23-21(25)13-14-22(26)24-20-11-7-18(8-12-20)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKey
HSGZAWQUIPVZSM-UHFFFAOYSA-N
Compound name
N,N'-bis(4-propan-2-ylphenyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 189.7
[M+Na]+ 375.20432 192.3
[M-H]- 351.20782 195.5
[M+NH4]+ 370.24892 201.6
[M+K]+ 391.17826 188.8
[M+H-H2O]+ 335.21236 180.7
[M+HCOO]- 397.21330 210.1
[M+CH3COO]- 411.22895 222.9
[M+Na-2H]- 373.18977 187.9
[M]+ 352.21455 189.7
[M]- 352.21565 189.7
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.