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 181.4
[M+Na]+ 373.11926 185.3
[M-H]- 349.12276 185.9
[M+NH4]+ 368.16386 194.8
[M+K]+ 389.09320 181.6
[M+H-H2O]+ 333.12730 173.4
[M+HCOO]- 395.12824 199.1
[M+CH3COO]- 409.14389 213.0
[M+Na-2H]- 371.10471 179.3
[M]+ 350.12949 184.8
[M]- 350.13059 184.8
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.