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 207.9
[M+Na]+ 473.24108 204.7
[M-H]- 449.24458 216.9
[M+NH4]+ 468.28568 213.8
[M+K]+ 489.21502 200.9
[M+H-H2O]+ 433.24912 195.8
[M+HCOO]- 495.25006 222.7
[M+CH3COO]- 509.26571 233.5
[M+Na-2H]- 471.22653 205.7
[M]+ 450.25131 199.4
[M]- 450.25241 199.4
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