CID 9562138

Nsc677710

Structural Information

Molecular Formula
C7H9N5S
SMILES
CNC(=S)N/N=C/C1=NC=CN=C1
InChI
InChI=1S/C7H9N5S/c1-8-7(13)12-11-5-6-4-9-2-3-10-6/h2-5H,1H3,(H2,8,12,13)/b11-5+
InChIKey
DEBROVCJVBSLGN-VZUCSPMQSA-N
Compound name
1-methyl-3-[(E)-pyrazin-2-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

195.05786 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06514 139.4
[M+Na]+ 218.04708 146.5
[M-H]- 194.05058 141.9
[M+NH4]+ 213.09168 156.4
[M+K]+ 234.02102 143.4
[M+H-H2O]+ 178.05512 131.1
[M+HCOO]- 240.05606 160.6
[M+CH3COO]- 254.07171 188.8
[M+Na-2H]- 216.03253 146.1
[M]+ 195.05731 139.0
[M]- 195.05841 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe