CID 4152020

N,n,n',n'-tetracyclohexyl-1,3-benzenedicarboxamide

Structural Information

Molecular Formula
C32H48N2O2
SMILES
C1CCC(CC1)N(C2CCCCC2)C(=O)C3=CC(=CC=C3)C(=O)N(C4CCCCC4)C5CCCCC5
InChI
InChI=1S/C32H48N2O2/c35-31(33(27-16-5-1-6-17-27)28-18-7-2-8-19-28)25-14-13-15-26(24-25)32(36)34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h13-15,24,27-30H,1-12,16-23H2
InChIKey
IVODSFSWEHIWMB-UHFFFAOYSA-N
Compound name
1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

492.37158 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.378856 220.3
[M+Na]+ 515.360798 209.4
[M-H]- 491.364304 230.9
[M+NH4]+ 510.405403 223.9
[M+K]+ 531.334738 206.4
[M+H-H2O]+ 475.368840 206.5
[M+HCOO]- 537.369781 226.2
[M+CH3COO]- 551.385431 248.2
[M+Na-2H]- 513.346246 210.8
[M]+ 492.37103142 201.5
[M]- 492.37212858 201.5
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