CID 30107

20317-96-8

Structural Information

Molecular Formula
C17H22Cl2N2O2
SMILES
C1CCC(C(C1)N2CCCC2)OC(=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H22Cl2N2O2/c18-12-6-5-7-13(19)16(12)20-17(22)23-15-9-2-1-8-14(15)21-10-3-4-11-21/h5-7,14-15H,1-4,8-11H2,(H,20,22)
InChIKey
YRIYIYHBILINOC-UHFFFAOYSA-N
Compound name
(2-pyrrolidin-1-ylcyclohexyl) N-(2,6-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.10583 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.113106 184.6
[M+Na]+ 379.095048 189.0
[M-H]- 355.098554 190.9
[M+NH4]+ 374.139653 198.4
[M+K]+ 395.068988 182.9
[M+H-H2O]+ 339.103090 176.4
[M+HCOO]- 401.104031 192.5
[M+CH3COO]- 415.119681 210.2
[M+Na-2H]- 377.080496 181.6
[M]+ 356.10528142 181.7
[M]- 356.10637858 181.7
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.