CID 34511

29194-93-2

Structural Information

Molecular Formula
C17H22Cl2N2O3
SMILES
C1CCC(C(C1)N2CCOCC2)OC(=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H22Cl2N2O3/c18-12-4-3-5-13(19)16(12)20-17(22)24-15-7-2-1-6-14(15)21-8-10-23-11-9-21/h3-5,14-15H,1-2,6-11H2,(H,20,22)
InChIKey
PBGYEXKOUOPAOH-UHFFFAOYSA-N
Compound name
(2-morpholin-4-ylcyclohexyl) N-(2,6-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.10074 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.10802 186.3
[M+Na]+ 395.08996 189.7
[M-H]- 371.09346 192.7
[M+NH4]+ 390.13456 196.0
[M+K]+ 411.06390 185.5
[M+H-H2O]+ 355.09800 177.4
[M+HCOO]- 417.09894 191.2
[M+CH3COO]- 431.11459 213.1
[M+Na-2H]- 393.07541 185.7
[M]+ 372.10019 183.3
[M]- 372.10129 183.3
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.