CID 9574724

N-(4-{2-[(aminothioxomethyl)amino]-2-azavinyl}phenyl)-3-pyridylcarboxamide

Structural Information

Molecular Formula
C14H13N5OS
SMILES
C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)/C=N\NC(=S)N
InChI
InChI=1S/C14H13N5OS/c15-14(21)19-17-8-10-3-5-12(6-4-10)18-13(20)11-2-1-7-16-9-11/h1-9H,(H,18,20)(H3,15,19,21)/b17-8-
InChIKey
PLZCCPSMMAIPPR-IUXPMGMMSA-N
Compound name
N-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.08408 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09136 166.1
[M+Na]+ 322.07330 171.3
[M-H]- 298.07680 172.1
[M+NH4]+ 317.11790 179.1
[M+K]+ 338.04724 166.1
[M+H-H2O]+ 282.08134 156.6
[M+HCOO]- 344.08228 187.5
[M+CH3COO]- 358.09793 210.9
[M+Na-2H]- 320.05875 170.3
[M]+ 299.08353 164.1
[M]- 299.08463 164.1
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.