CID 213394

2-propanol, 1-(o-(4-chlorophenoxy)phenoxy)-3-diethylamino-, hydrochloride

Structural Information

Molecular Formula
C19H24ClNO3
SMILES
CCN(CC)CC(COC1=CC=CC=C1OC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C19H24ClNO3/c1-3-21(4-2)13-16(22)14-23-18-7-5-6-8-19(18)24-17-11-9-15(20)10-12-17/h5-12,16,22H,3-4,13-14H2,1-2H3
InChIKey
DBZQBWNBFWEYNZ-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)phenoxy]-3-(diethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.14447 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.15175 182.7
[M+Na]+ 372.13369 188.1
[M-H]- 348.13719 188.7
[M+NH4]+ 367.17829 196.2
[M+K]+ 388.10763 184.0
[M+H-H2O]+ 332.14173 174.8
[M+HCOO]- 394.14267 200.5
[M+CH3COO]- 408.15832 215.5
[M+Na-2H]- 370.11914 184.2
[M]+ 349.14392 189.0
[M]- 349.14502 189.0
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.