CID 3113761

N(1),n(6)-bis(4-methylphenyl)hexanediamide

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CC1=CC=C(C=C1)NC(=O)CCCCC(=O)NC2=CC=C(C=C2)C
InChI
InChI=1S/C20H24N2O2/c1-15-7-11-17(12-8-15)21-19(23)5-3-4-6-20(24)22-18-13-9-16(2)10-14-18/h7-14H,3-6H2,1-2H3,(H,21,23)(H,22,24)
InChIKey
KENCHVFXABFDDW-UHFFFAOYSA-N
Compound name
N,N'-bis(4-methylphenyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
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

No literature data available for this compound.

Patent stripe

patents stripe