CID 18109366

4-(1,3-dithiolan-2-yl)-n-(3-hydroxypyridin-2-yl)benzamide

Structural Information

Molecular Formula
C15H14N2O2S2
SMILES
C1CSC(S1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=N3)O
InChI
InChI=1S/C15H14N2O2S2/c18-12-2-1-7-16-13(12)17-14(19)10-3-5-11(6-4-10)15-20-8-9-21-15/h1-7,15,18H,8-9H2,(H,16,17,19)
InChIKey
IOZLWSWLSUBSJM-UHFFFAOYSA-N
Compound name
4-(1,3-dithiolan-2-yl)-N-(3-hydroxypyridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.04968 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05696 168.4
[M+Na]+ 341.03890 175.3
[M-H]- 317.04240 175.3
[M+NH4]+ 336.08350 182.8
[M+K]+ 357.01284 169.0
[M+H-H2O]+ 301.04694 161.4
[M+HCOO]- 363.04788 179.5
[M+CH3COO]- 377.06353 178.5
[M+Na-2H]- 339.02435 167.8
[M]+ 318.04913 167.3
[M]- 318.05023 167.3
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

patents stripe