CID 197627

Alpha-hydroxysalmeterol

Structural Information

Molecular Formula
C25H37NO5
SMILES
C1=CC=C(C=C1)C(CCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O)O
InChI
InChI=1S/C25H37NO5/c27-19-22-17-21(12-13-24(22)29)25(30)18-26-14-6-1-2-7-15-31-16-8-11-23(28)20-9-4-3-5-10-20/h3-5,9-10,12-13,17,23,25-30H,1-2,6-8,11,14-16,18-19H2
InChIKey
PGRMEHUQIPZHKM-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-[6-(4-hydroxy-4-phenylbutoxy)hexylamino]ethyl]-2-(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

431.26718 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.27446 211.0
[M+Na]+ 454.25640 218.6
[M+NH4]+ 449.30100 214.5
[M+K]+ 470.23034 212.6
[M-H]- 430.25990 211.9
[M+Na-2H]- 452.24185 213.5
[M]+ 431.26663 211.9
[M]- 431.26773 211.9
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