CID 3076600

4-(2-chlorophenoxy)-alpha-((2-(dimethylamino)ethoxy)methyl)benzenemethanol hydrochloride

Structural Information

Molecular Formula
C18H22ClNO3
SMILES
CN(C)CCOCC(C1=CC=C(C=C1)OC2=CC=CC=C2Cl)O
InChI
InChI=1S/C18H22ClNO3/c1-20(2)11-12-22-13-17(21)14-7-9-15(10-8-14)23-18-6-4-3-5-16(18)19/h3-10,17,21H,11-13H2,1-2H3
InChIKey
JUCYQDBDQYVIBT-UHFFFAOYSA-N
Compound name
1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13608 178.1
[M+Na]+ 358.11802 183.9
[M-H]- 334.12152 184.3
[M+NH4]+ 353.16262 192.2
[M+K]+ 374.09196 180.1
[M+H-H2O]+ 318.12606 170.3
[M+HCOO]- 380.12700 196.3
[M+CH3COO]- 394.14265 212.6
[M+Na-2H]- 356.10347 180.1
[M]+ 335.12825 184.0
[M]- 335.12935 184.0
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.