CID 3063042

4-(2-((2-hydroxy-3-((4-methyl-3-thienyl)oxy)propyl)amino)ethoxy)benzamide hydrochloride

Structural Information

Molecular Formula
C17H22N2O4S
SMILES
CC1=CSC=C1OCC(CNCCOC2=CC=C(C=C2)C(=O)N)O
InChI
InChI=1S/C17H22N2O4S/c1-12-10-24-11-16(12)23-9-14(20)8-19-6-7-22-15-4-2-13(3-5-15)17(18)21/h2-5,10-11,14,19-20H,6-9H2,1H3,(H2,18,21)
InChIKey
ZPOZGFRQIMEQLX-UHFFFAOYSA-N
Compound name
4-[2-[[2-hydroxy-3-(4-methylthiophen-3-yl)oxypropyl]amino]ethoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13004 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13732 182.1
[M+Na]+ 373.11926 189.2
[M+NH4]+ 368.16386 187.7
[M+K]+ 389.09320 184.6
[M-H]- 349.12276 184.3
[M+Na-2H]- 371.10471 185.8
[M]+ 350.12949 183.7
[M]- 350.13059 183.7
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.