CID 3072524

142934-83-6

Structural Information

Molecular Formula
C18H18N2O3S
SMILES
C1=CC=NC(=C1)C(=O)NCCOCC(C2=CC3=C(C=C2)SC=C3)O
InChI
InChI=1S/C18H18N2O3S/c21-16(13-4-5-17-14(11-13)6-10-24-17)12-23-9-8-20-18(22)15-3-1-2-7-19-15/h1-7,10-11,16,21H,8-9,12H2,(H,20,22)
InChIKey
RVPUXTCYXQXSCE-UHFFFAOYSA-N
Compound name
N-[2-[2-(1-benzothiophen-5-yl)-2-hydroxyethoxy]ethyl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.10382 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11110 177.7
[M+Na]+ 365.09304 184.2
[M-H]- 341.09654 182.7
[M+NH4]+ 360.13764 191.7
[M+K]+ 381.06698 179.2
[M+H-H2O]+ 325.10108 169.8
[M+HCOO]- 387.10202 194.8
[M+CH3COO]- 401.11767 207.4
[M+Na-2H]- 363.07849 180.2
[M]+ 342.10327 182.2
[M]- 342.10437 182.2
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.