CID 208937

Etanterol

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)CO)N)O
InChI
InChI=1S/C18H24N2O3/c1-12(6-13-2-4-17(22)5-3-13)20-10-18(23)15-7-14(11-21)8-16(19)9-15/h2-5,7-9,12,18,20-23H,6,10-11,19H2,1H3
InChIKey
BMMHZTIQZODVHZ-UHFFFAOYSA-N
Compound name
4-[2-[[2-[3-amino-5-(hydroxymethyl)phenyl]-2-hydroxyethyl]amino]propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1358
Patents

316.17868 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.185956 176.4
[M+Na]+ 339.167898 180.0
[M-H]- 315.171404 178.3
[M+NH4]+ 334.212503 187.8
[M+K]+ 355.141838 175.5
[M+H-H2O]+ 299.175940 168.5
[M+HCOO]- 361.176881 194.8
[M+CH3COO]- 375.192531 208.2
[M+Na-2H]- 337.153346 176.1
[M]+ 316.17813142 173.1
[M]- 316.17922858 173.1
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.