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 165.9
[M+Na]+ 341.03890 176.9
[M+NH4]+ 336.08350 174.5
[M+K]+ 357.01284 168.7
[M-H]- 317.04240 171.3
[M+Na-2H]- 339.02435 173.5
[M]+ 318.04913 169.8
[M]- 318.05023 169.8
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

patents stripe