CID 113875

3-(2-(3,4-dimethoxyphenyl)ethylamino)-1-(4-propionylphenoxy)propan-2-ol hydrochloride

Structural Information

Molecular Formula
C22H29NO5
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O
InChI
InChI=1S/C22H29NO5/c1-4-20(25)17-6-8-19(9-7-17)28-15-18(24)14-23-12-11-16-5-10-21(26-2)22(13-16)27-3/h5-10,13,18,23-24H,4,11-12,14-15H2,1-3H3
InChIKey
OQGOXXDCKNDRQM-UHFFFAOYSA-N
Compound name
1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.20456 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.21184 195.4
[M+Na]+ 410.19378 205.9
[M+NH4]+ 405.23838 200.4
[M+K]+ 426.16772 199.8
[M-H]- 386.19728 197.9
[M+Na-2H]- 408.17923 200.3
[M]+ 387.20401 197.4
[M]- 387.20511 197.4
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.