CID 118282

3-(1-methyl-2-phenylethylamino)-1-(4-propionylphenoxy)propan-2-ol hydrochloride

Structural Information

Molecular Formula
C21H27NO3
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CNC(C)CC2=CC=CC=C2)O
InChI
InChI=1S/C21H27NO3/c1-3-21(24)18-9-11-20(12-10-18)25-15-19(23)14-22-16(2)13-17-7-5-4-6-8-17/h4-12,16,19,22-23H,3,13-15H2,1-2H3
InChIKey
MVGYSWFKOZQUGW-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(1-phenylpropan-2-ylamino)propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 185.3
[M+Na]+ 364.18832 187.4
[M-H]- 340.19182 189.3
[M+NH4]+ 359.23292 196.8
[M+K]+ 380.16226 183.8
[M+H-H2O]+ 324.19636 176.4
[M+HCOO]- 386.19730 204.5
[M+CH3COO]- 400.21295 214.4
[M+Na-2H]- 362.17377 185.1
[M]+ 341.19855 186.2
[M]- 341.19965 186.2
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.