CID 3510071

4,4'-methylenebis(cyclohexyl n-phenylcarbamate)

Structural Information

Molecular Formula
C27H34N2O4
SMILES
C1CCC(CC1)OC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)OC4CCCCC4
InChI
InChI=1S/C27H34N2O4/c30-26(32-24-7-3-1-4-8-24)28-22-15-11-20(12-16-22)19-21-13-17-23(18-14-21)29-27(31)33-25-9-5-2-6-10-25/h11-18,24-25H,1-10,19H2,(H,28,30)(H,29,31)
InChIKey
LIMGWHSDVWULRD-UHFFFAOYSA-N
Compound name
cyclohexyl N-[4-[[4-(cyclohexyloxycarbonylamino)phenyl]methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

450.25186 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.25914 213.1
[M+Na]+ 473.24108 222.2
[M+NH4]+ 468.28568 219.3
[M+K]+ 489.21502 214.5
[M-H]- 449.24458 220.8
[M+Na-2H]- 471.22653 220.4
[M]+ 450.25131 216.1
[M]- 450.25241 216.1
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