CID 3004530

Nsc658302

Structural Information

Molecular Formula
C10H10N4O2S
SMILES
C1=CN=CC=C1C(=S)NC=C(C(=O)N)C(=O)N
InChI
InChI=1S/C10H10N4O2S/c11-8(15)7(9(12)16)5-14-10(17)6-1-3-13-4-2-6/h1-5H,(H2,11,15)(H2,12,16)(H,14,17)
InChIKey
XCARYRZIDMBWCV-UHFFFAOYSA-N
Compound name
2-[(pyridine-4-carbothioylamino)methylidene]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.05244 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05972 155.3
[M+Na]+ 273.04166 159.7
[M-H]- 249.04516 156.2
[M+NH4]+ 268.08626 169.3
[M+K]+ 289.01560 156.0
[M+H-H2O]+ 233.04970 147.4
[M+HCOO]- 295.05064 171.6
[M+CH3COO]- 309.06629 197.6
[M+Na-2H]- 271.02711 154.8
[M]+ 250.05189 151.2
[M]- 250.05299 151.2
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.