CID 477889

Oprea1_473079

Structural Information

Molecular Formula
C14H9ClN4O2S
SMILES
C1=CC(=CC=C1NC(=O)N2C(=S)OC(=N2)C3=CC=NC=C3)Cl
InChI
InChI=1S/C14H9ClN4O2S/c15-10-1-3-11(4-2-10)17-13(20)19-14(22)21-12(18-19)9-5-7-16-8-6-9/h1-8H,(H,17,20)
InChIKey
ZSPIXLGCFUKSDK-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0135 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.02078 172.9
[M+Na]+ 355.00272 184.4
[M-H]- 331.00622 180.8
[M+NH4]+ 350.04732 184.4
[M+K]+ 370.97666 178.5
[M+H-H2O]+ 315.01076 164.2
[M+HCOO]- 377.01170 185.9
[M+CH3COO]- 391.02735 184.5
[M+Na-2H]- 352.98817 174.9
[M]+ 332.01295 177.7
[M]- 332.01405 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.