CID 3056688

O-(3-diethylamino-2-hydroxypropoxy)phenyl o-tolyl ether hydrochloride hemihydrate

Structural Information

Molecular Formula
C20H27NO3
SMILES
CCN(CC)CC(COC1=CC=CC=C1OC2=CC=CC=C2C)O
InChI
InChI=1S/C20H27NO3/c1-4-21(5-2)14-17(22)15-23-19-12-8-9-13-20(19)24-18-11-7-6-10-16(18)3/h6-13,17,22H,4-5,14-15H2,1-3H3
InChIKey
YXVAULRKPCPUOQ-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-[2-(2-methylphenoxy)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 181.6
[M+Na]+ 352.18832 185.6
[M-H]- 328.19182 187.5
[M+NH4]+ 347.23292 194.9
[M+K]+ 368.16226 183.2
[M+H-H2O]+ 312.19636 172.6
[M+HCOO]- 374.19730 203.5
[M+CH3COO]- 388.21295 214.9
[M+Na-2H]- 350.17377 182.8
[M]+ 329.19855 185.8
[M]- 329.19965 185.8
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.