CID 9554239

Brn 0924845

Structural Information

Molecular Formula
C16H15N3O2S
SMILES
CCSC1=CC=C(C=C1)C(=O)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C16H15N3O2S/c1-2-22-14-5-3-12(4-6-14)15(20)11-18-19-16(21)13-7-9-17-10-8-13/h3-11H,2H2,1H3,(H,19,21)/b18-11+
InChIKey
FURQELMFCGJLIE-WOJGMQOQSA-N
Compound name
N-[(E)-[2-(4-ethylsulfanylphenyl)-2-oxoethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0885 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09578 171.1
[M+Na]+ 336.07772 182.6
[M+NH4]+ 331.12232 178.0
[M+K]+ 352.05166 173.8
[M-H]- 312.08122 175.3
[M+Na-2H]- 334.06317 179.2
[M]+ 313.08795 174.2
[M]- 313.08905 174.2
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.