CID 3004574

Nsc658484

Structural Information

Molecular Formula
C10H6N4S
SMILES
C1=CN=CC=C1C(=S)NC=C(C#N)C#N
InChI
InChI=1S/C10H6N4S/c11-5-8(6-12)7-14-10(15)9-1-3-13-4-2-9/h1-4,7H,(H,14,15)
InChIKey
JQDJDCUBYJRAGG-UHFFFAOYSA-N
Compound name
N-(2,2-dicyanoethenyl)pyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.03131 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03859 166.7
[M+Na]+ 237.02053 175.2
[M-H]- 213.02403 169.3
[M+NH4]+ 232.06513 177.8
[M+K]+ 252.99447 172.1
[M+H-H2O]+ 197.02857 150.4
[M+HCOO]- 259.02951 174.3
[M+CH3COO]- 273.04516 217.6
[M+Na-2H]- 235.00598 166.2
[M]+ 214.03076 157.7
[M]- 214.03186 157.7
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.