CID 667830

2-isonicotinoyl-n-phenylhydrazinecarbothioamide

Structural Information

Molecular Formula
C13H12N4OS
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H12N4OS/c18-12(10-6-8-14-9-7-10)16-17-13(19)15-11-4-2-1-3-5-11/h1-9H,(H,16,18)(H2,15,17,19)
InChIKey
GDEQICJHJBGISZ-UHFFFAOYSA-N
Compound name
1-phenyl-3-(pyridine-4-carbonylamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3
Patents

272.07318 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08046 158.8
[M+Na]+ 295.06240 163.9
[M-H]- 271.06590 163.9
[M+NH4]+ 290.10700 172.8
[M+K]+ 311.03634 159.0
[M+H-H2O]+ 255.07044 150.0
[M+HCOO]- 317.07138 178.7
[M+CH3COO]- 331.08703 199.8
[M+Na-2H]- 293.04785 164.2
[M]+ 272.07263 156.6
[M]- 272.07373 156.6
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.