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]+ 353.22238 189.3
[M+Na]+ 375.20432 194.3
[M-H]- 351.20782 195.7
[M+NH4]+ 370.24892 202.0
[M+K]+ 391.17826 189.8
[M+H-H2O]+ 335.21236 180.4
[M+HCOO]- 397.21330 211.7
[M+CH3COO]- 411.22895 223.6
[M+Na-2H]- 373.18977 188.4
[M]+ 352.21455 191.3
[M]- 352.21565 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.