CID 3006064

N-(iminocarbamothioyl)pyridine-4-carboxamide

Structural Information

Molecular Formula
C7H6N4OS
SMILES
C1=CN=CC=C1C(=O)NC(=S)N=N
InChI
InChI=1S/C7H6N4OS/c8-11-7(13)10-6(12)5-1-3-9-4-2-5/h1-4,8H,(H,10,12,13)
InChIKey
YXCMMIULXJTAAS-UHFFFAOYSA-N
Compound name
N-(iminocarbamothioyl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.02623 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03351 138.8
[M+Na]+ 217.01545 145.6
[M-H]- 193.01895 142.7
[M+NH4]+ 212.06005 156.9
[M+K]+ 232.98939 143.1
[M+H-H2O]+ 177.02349 131.1
[M+HCOO]- 239.02443 160.5
[M+CH3COO]- 253.04008 188.2
[M+Na-2H]- 215.00090 144.2
[M]+ 194.02568 138.0
[M]- 194.02678 138.0
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.