CID 3057301

1-(4-(2-methoxyethyl)phenoxy)-3-((2-phenylethyl)amino)-2-propanol hydrochloride

Structural Information

Molecular Formula
C20H27NO3
SMILES
COCCC1=CC=C(C=C1)OCC(CNCCC2=CC=CC=C2)O
InChI
InChI=1S/C20H27NO3/c1-23-14-12-18-7-9-20(10-8-18)24-16-19(22)15-21-13-11-17-5-3-2-4-6-17/h2-10,19,21-22H,11-16H2,1H3
InChIKey
BNIMLEALQBENIH-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyethyl)phenoxy]-3-(2-phenylethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 180.9
[M+Na]+ 352.18832 183.8
[M-H]- 328.19182 184.9
[M+NH4]+ 347.23292 193.2
[M+K]+ 368.16226 179.9
[M+H-H2O]+ 312.19636 171.8
[M+HCOO]- 374.19730 202.3
[M+CH3COO]- 388.21295 210.4
[M+Na-2H]- 350.17377 183.7
[M]+ 329.19855 183.4
[M]- 329.19965 183.4
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.