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

26
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

literature stripe

Patent stripe

patents stripe