CID 29986

2-(diethylamino)cyclohexyl 2,6-dichlorocarbanilate hydrochloride

Structural Information

Molecular Formula
C17H24Cl2N2O2
SMILES
CCN(CC)C1CCCCC1OC(=O)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C17H24Cl2N2O2/c1-3-21(4-2)14-10-5-6-11-15(14)23-17(22)20-16-12(18)8-7-9-13(16)19/h7-9,14-15H,3-6,10-11H2,1-2H3,(H,20,22)
InChIKey
UITPKIQGGGYUIT-UHFFFAOYSA-N
Compound name
[2-(diethylamino)cyclohexyl] N-(2,6-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1215 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12878 184.5
[M+Na]+ 381.11072 189.3
[M-H]- 357.11422 190.8
[M+NH4]+ 376.15532 198.8
[M+K]+ 397.08466 184.5
[M+H-H2O]+ 341.11876 177.8
[M+HCOO]- 403.11970 196.2
[M+CH3COO]- 417.13535 219.3
[M+Na-2H]- 379.09617 183.4
[M]+ 358.12095 186.5
[M]- 358.12205 186.5
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.