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

76
Patents

324.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 180.3
[M+Na]+ 347.172998 184.4
[M-H]- 323.176504 186.3
[M+NH4]+ 342.217603 193.6
[M+K]+ 363.146938 180.1
[M+H-H2O]+ 307.181040 171.4
[M+HCOO]- 369.181981 203.5
[M+CH3COO]- 383.197631 215.1
[M+Na-2H]- 345.158446 182.0
[M]+ 324.18323142 180.8
[M]- 324.18432858 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