CID 4171

Metoprolol

Structural Information

Molecular Formula
C15H25NO3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CCOC)O
InChI
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKey
IUBSYMUCCVWXPE-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

7423
References

70557
Patents

267.18344 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 166.1
[M+Na]+ 290.17266 169.8
[M-H]- 266.17616 167.4
[M+NH4]+ 285.21726 181.5
[M+K]+ 306.14660 168.1
[M+H-H2O]+ 250.18070 158.9
[M+HCOO]- 312.18164 186.8
[M+CH3COO]- 326.19729 200.6
[M+Na-2H]- 288.15811 167.6
[M]+ 267.18289 168.9
[M]- 267.18399 168.9
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.