CID 26648

Methoxyisoxsuprine hydrochloride

Structural Information

Molecular Formula
C19H25NO4
SMILES
CC(COC1=CC=CC=C1)NC(C)C(C2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C19H25NO4/c1-13(12-24-16-7-5-4-6-8-16)20-14(2)19(22)15-9-10-17(21)18(11-15)23-3/h4-11,13-14,19-22H,12H2,1-3H3
InChIKey
GOKWBHMWOQRAFZ-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.17834 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18562 180.0
[M+Na]+ 354.16756 183.1
[M-H]- 330.17106 183.4
[M+NH4]+ 349.21216 191.6
[M+K]+ 370.14150 180.6
[M+H-H2O]+ 314.17560 171.7
[M+HCOO]- 376.17654 198.4
[M+CH3COO]- 390.19219 210.3
[M+Na-2H]- 352.15301 179.8
[M]+ 331.17779 181.0
[M]- 331.17889 181.0
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.