CID 37990

Zinterol

Structural Information

Molecular Formula
C19H26N2O4S
SMILES
CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)NS(=O)(=O)C)O
InChI
InChI=1S/C19H26N2O4S/c1-19(2,12-14-7-5-4-6-8-14)20-13-18(23)15-9-10-17(22)16(11-15)21-26(3,24)25/h4-11,18,20-23H,12-13H2,1-3H3
InChIKey
XJBCFFLVLOPYBV-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

115
References

1665
Patents

378.16132 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16860 189.1
[M+Na]+ 401.15054 197.3
[M+NH4]+ 396.19514 193.9
[M+K]+ 417.12448 191.7
[M-H]- 377.15404 190.6
[M+Na-2H]- 399.13599 194.3
[M]+ 378.16077 190.9
[M]- 378.16187 190.9
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