CID 53394762

Urb937

Structural Information

Molecular Formula
C20H22N2O4
SMILES
C1CCC(CC1)NC(=O)OC2=CC(=C(C=C2)O)C3=CC(=CC=C3)C(=O)N
InChI
InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
InChIKey
CMEQHOXCIGFZNJ-UHFFFAOYSA-N
Compound name
[3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

50
Patents

354.15796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 182.7
[M+Na]+ 377.14718 185.1
[M-H]- 353.15068 189.6
[M+NH4]+ 372.19178 193.0
[M+K]+ 393.12112 181.4
[M+H-H2O]+ 337.15522 173.3
[M+HCOO]- 399.15616 201.1
[M+CH3COO]- 413.17181 215.4
[M+Na-2H]- 375.13263 182.3
[M]+ 354.15741 176.8
[M]- 354.15851 176.8
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