CID 479984

N,n'-bis(4-butan-2-ylphenyl)butanediamide

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CCC(C)C1=CC=C(C=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(C)CC
InChI
InChI=1S/C24H32N2O2/c1-5-17(3)19-7-11-21(12-8-19)25-23(27)15-16-24(28)26-22-13-9-20(10-14-22)18(4)6-2/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,25,27)(H,26,28)
InChIKey
CVZNMRXFAOXKFD-UHFFFAOYSA-N
Compound name
N,N'-bis(4-butan-2-ylphenyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.253646 198.8
[M+Na]+ 403.235588 200.4
[M-H]- 379.239094 204.1
[M+NH4]+ 398.280193 209.5
[M+K]+ 419.209528 196.6
[M+H-H2O]+ 363.243630 189.4
[M+HCOO]- 425.244571 218.5
[M+CH3COO]- 439.260221 228.8
[M+Na-2H]- 401.221036 195.9
[M]+ 380.24582142 199.5
[M]- 380.24691858 199.5
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.