CID 3059177

2-propanol, 1-((2-(3,4-dimethoxyphenyl)-1-methylethyl)amino)-3-phenoxy-, hydrochloride

Structural Information

Molecular Formula
C20H27NO4
SMILES
CC(CC1=CC(=C(C=C1)OC)OC)NCC(COC2=CC=CC=C2)O
InChI
InChI=1S/C20H27NO4/c1-15(11-16-9-10-19(23-2)20(12-16)24-3)21-13-17(22)14-25-18-7-5-4-6-8-18/h4-10,12,15,17,21-22H,11,13-14H2,1-3H3
InChIKey
MNPIRCKPFGRQAS-UHFFFAOYSA-N
Compound name
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

345.194 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20128 184.4
[M+Na]+ 368.18322 187.7
[M-H]- 344.18672 188.8
[M+NH4]+ 363.22782 196.2
[M+K]+ 384.15716 185.2
[M+H-H2O]+ 328.19126 175.3
[M+HCOO]- 390.19220 204.9
[M+CH3COO]- 404.20785 214.6
[M+Na-2H]- 366.16867 185.3
[M]+ 345.19345 188.1
[M]- 345.19455 188.1
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

patents stripe