CID 5375900

Nsc666003

Structural Information

Molecular Formula
C8H11N5S
SMILES
C/C(=N\NC(=S)NC)/C1=NC=CN=C1
InChI
InChI=1S/C8H11N5S/c1-6(12-13-8(14)9-2)7-5-10-3-4-11-7/h3-5H,1-2H3,(H2,9,13,14)/b12-6+
InChIKey
GLPQYBREVOHZTO-WUXMJOGZSA-N
Compound name
1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

209.07352 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08080 144.6
[M+Na]+ 232.06274 150.9
[M-H]- 208.06624 147.0
[M+NH4]+ 227.10734 161.0
[M+K]+ 248.03668 148.1
[M+H-H2O]+ 192.07078 136.2
[M+HCOO]- 254.07172 164.4
[M+CH3COO]- 268.08737 192.7
[M+Na-2H]- 230.04819 149.7
[M]+ 209.07297 144.0
[M]- 209.07407 144.0
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.