CID 114962

Alpha-hydroxymetoprolol

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)C(COC)O)O
InChI
InChI=1S/C15H25NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,15-18H,8-10H2,1-3H3
InChIKey
OFRYBPCSEMMZHR-UHFFFAOYSA-N
Compound name
1-[4-(1-hydroxy-2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

63
References

27
Patents

283.17834 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18562 169.3
[M+Na]+ 306.16756 172.2
[M-H]- 282.17106 169.3
[M+NH4]+ 301.21216 183.2
[M+K]+ 322.14150 170.9
[M+H-H2O]+ 266.17560 162.2
[M+HCOO]- 328.17654 187.7
[M+CH3COO]- 342.19219 201.2
[M+Na-2H]- 304.15301 169.2
[M]+ 283.17779 171.1
[M]- 283.17889 171.1
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

No patent data available for this compound.