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]+ 451.259136 207.9
[M+Na]+ 473.241078 204.7
[M-H]- 449.244584 216.9
[M+NH4]+ 468.285683 213.8
[M+K]+ 489.215018 200.9
[M+H-H2O]+ 433.249120 195.8
[M+HCOO]- 495.250061 222.7
[M+CH3COO]- 509.265711 233.5
[M+Na-2H]- 471.226526 205.7
[M]+ 450.25131142 199.4
[M]- 450.25240858 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