CID 479980

N,n'-bis(3,4-dimethylphenyl)butanediamide

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CC1=C(C=C(C=C1)NC(=O)CCC(=O)NC2=CC(=C(C=C2)C)C)C
InChI
InChI=1S/C20H24N2O2/c1-13-5-7-17(11-15(13)3)21-19(23)9-10-20(24)22-18-8-6-14(2)16(4)12-18/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKey
SPHAKERPOAKQAJ-UHFFFAOYSA-N
Compound name
N,N'-bis(3,4-dimethylphenyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 180.1
[M+Na]+ 347.17300 186.1
[M-H]- 323.17650 187.0
[M+NH4]+ 342.21760 194.1
[M+K]+ 363.14694 182.0
[M+H-H2O]+ 307.18104 171.7
[M+HCOO]- 369.18198 203.3
[M+CH3COO]- 383.19763 217.7
[M+Na-2H]- 345.15845 180.4
[M]+ 324.18323 181.5
[M]- 324.18433 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.