CID 215278

35366-24-6

Structural Information

Molecular Formula
C18H28ClNO
SMILES
CCOC1=C(C=C(C=C1)Cl)C(CN(C)C)C2CCCCC2
InChI
InChI=1S/C18H28ClNO/c1-4-21-18-11-10-15(19)12-16(18)17(13-20(2)3)14-8-6-5-7-9-14/h10-12,14,17H,4-9,13H2,1-3H3
InChIKey
HGCOPLMHTQQJJG-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-ethoxyphenyl)-2-cyclohexyl-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.18594 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.193216 176.5
[M+Na]+ 332.175158 179.9
[M-H]- 308.178664 182.9
[M+NH4]+ 327.219763 192.3
[M+K]+ 348.149098 176.2
[M+H-H2O]+ 292.183200 168.9
[M+HCOO]- 354.184141 191.4
[M+CH3COO]- 368.199791 212.1
[M+Na-2H]- 330.160606 175.8
[M]+ 309.18539142 177.0
[M]- 309.18648858 177.0
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.