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
1
Annotation Hits

8
References

400
Patents

368.1736 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 187.5
[M+Na]+ 391.16282 189.1
[M-H]- 367.16632 195.9
[M+NH4]+ 386.20742 201.4
[M+K]+ 407.13676 186.2
[M+H-H2O]+ 351.17086 178.2
[M+HCOO]- 413.17180 210.0
[M+CH3COO]- 427.18745 214.7
[M+Na-2H]- 389.14827 189.8
[M]+ 368.17305 185.9
[M]- 368.17415 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.