CID 479984

N,n'-bis(4-sec-butylphenyl)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]+ 381.25365 198.8
[M+Na]+ 403.23559 200.4
[M-H]- 379.23909 204.1
[M+NH4]+ 398.28019 209.5
[M+K]+ 419.20953 196.6
[M+H-H2O]+ 363.24363 189.4
[M+HCOO]- 425.24457 218.5
[M+CH3COO]- 439.26022 228.8
[M+Na-2H]- 401.22104 195.9
[M]+ 380.24582 199.5
[M]- 380.24692 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.