CID 3113762

N(1),n(6)-bis(2,4-dimethylphenyl)hexanediamide

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC1=CC(=C(C=C1)NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)C)C)C
InChI
InChI=1S/C22H28N2O2/c1-15-9-11-19(17(3)13-15)23-21(25)7-5-6-8-22(26)24-20-12-10-16(2)14-18(20)4/h9-14H,5-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKey
SSJBGRWEJQQOOB-UHFFFAOYSA-N
Compound name
N,N'-bis(2,4-dimethylphenyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 189.3
[M+Na]+ 375.204318 194.3
[M-H]- 351.207824 195.7
[M+NH4]+ 370.248923 202.0
[M+K]+ 391.178258 189.8
[M+H-H2O]+ 335.212360 180.4
[M+HCOO]- 397.213301 211.7
[M+CH3COO]- 411.228951 223.6
[M+Na-2H]- 373.189766 188.4
[M]+ 352.21455142 191.3
[M]- 352.21564858 191.3
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.