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

1354
Patents

316.17868 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18596 176.4
[M+Na]+ 339.16790 180.0
[M-H]- 315.17140 178.3
[M+NH4]+ 334.21250 187.8
[M+K]+ 355.14184 175.5
[M+H-H2O]+ 299.17594 168.5
[M+HCOO]- 361.17688 194.8
[M+CH3COO]- 375.19253 208.2
[M+Na-2H]- 337.15335 176.1
[M]+ 316.17813 173.1
[M]- 316.17923 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.