CID 1752804

N(1),n(6)-bis(3-methylphenyl)hexanediamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
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 180.3
[M+Na]+ 347.17300 184.4
[M-H]- 323.17650 186.3
[M+NH4]+ 342.21760 193.6
[M+K]+ 363.14694 180.1
[M+H-H2O]+ 307.18104 171.4
[M+HCOO]- 369.18198 203.5
[M+CH3COO]- 383.19763 215.1
[M+Na-2H]- 345.15845 182.0
[M]+ 324.18323 180.8
[M]- 324.18433 180.8
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

patents stripe