CID 1383884

546141-08-6

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

501
References

889
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

literature stripe

Patent stripe

patents stripe