CID 1383884

Cyclohexyl carbamic acid 3'-carbamoylbiphenyl-3-yl ester

Structural Information

Molecular Formula
C20H22N2O3
SMILES
C1CCC(CC1)NC(=O)OC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)N
InChI
InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
InChIKey
ROFVXGGUISEHAM-UHFFFAOYSA-N
Compound name
[3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

503
References

1014
Patents

338.16306 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 179.8
[M+Na]+ 361.15228 181.9
[M-H]- 337.15578 187.7
[M+NH4]+ 356.19688 191.2
[M+K]+ 377.12622 178.1
[M+H-H2O]+ 321.16032 170.1
[M+HCOO]- 383.16126 199.5
[M+CH3COO]- 397.17691 214.0
[M+Na-2H]- 359.13773 180.4
[M]+ 338.16251 173.9
[M]- 338.16361 173.9
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

No patent data available for this compound.