CID 3343

Fenoterol

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O
InChI
InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
InChIKey
LSLYOANBFKQKPT-UHFFFAOYSA-N
Compound name
5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1959
References

36177
Patents

303.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.154336 171.0
[M+Na]+ 326.136278 175.4
[M-H]- 302.139784 172.3
[M+NH4]+ 321.180883 182.7
[M+K]+ 342.110218 171.1
[M+H-H2O]+ 286.144320 163.7
[M+HCOO]- 348.145261 188.1
[M+CH3COO]- 362.160911 200.3
[M+Na-2H]- 324.121726 171.4
[M]+ 303.14651142 168.7
[M]- 303.14760858 168.7
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