CID 72076

Cyclarbamate

Structural Information

Molecular Formula
C21H24N2O4
SMILES
C1CCC(C1)(COC(=O)NC2=CC=CC=C2)COC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C21H24N2O4/c24-19(22-17-9-3-1-4-10-17)26-15-21(13-7-8-14-21)16-27-20(25)23-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,22,24)(H,23,25)
InChIKey
IRZVVDMCEZNNCW-UHFFFAOYSA-N
Compound name
[1-(phenylcarbamoyloxymethyl)cyclopentyl]methyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

401
Patents

368.1736 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.180876 187.5
[M+Na]+ 391.162818 189.1
[M-H]- 367.166324 195.9
[M+NH4]+ 386.207423 201.4
[M+K]+ 407.136758 186.2
[M+H-H2O]+ 351.170860 178.2
[M+HCOO]- 413.171801 210.0
[M+CH3COO]- 427.187451 214.7
[M+Na-2H]- 389.148266 189.8
[M]+ 368.17305142 185.9
[M]- 368.17414858 185.9
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