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

70
Patents

492.37158 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.37886 220.3
[M+Na]+ 515.36080 209.4
[M-H]- 491.36430 230.9
[M+NH4]+ 510.40540 223.9
[M+K]+ 531.33474 206.4
[M+H-H2O]+ 475.36884 206.5
[M+HCOO]- 537.36978 226.2
[M+CH3COO]- 551.38543 248.2
[M+Na-2H]- 513.34625 210.8
[M]+ 492.37103 201.5
[M]- 492.37213 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