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]+ 346.201276 184.4
[M+Na]+ 368.183218 187.7
[M-H]- 344.186724 188.8
[M+NH4]+ 363.227823 196.2
[M+K]+ 384.157158 185.2
[M+H-H2O]+ 328.191260 175.3
[M+HCOO]- 390.192201 204.9
[M+CH3COO]- 404.207851 214.6
[M+Na-2H]- 366.168666 185.3
[M]+ 345.19345142 188.1
[M]- 345.19454858 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