CID 9579510

Chembl112946

Structural Information

Molecular Formula
C8H11N5S
SMILES
CN(C)C(=S)N/N=C/C1=NN=CC=C1
InChI
InChI=1S/C8H11N5S/c1-13(2)8(14)12-10-6-7-4-3-5-9-11-7/h3-6H,1-2H3,(H,12,14)/b10-6+
InChIKey
QYYCRXQIIKXERN-UXBLZVDNSA-N
Compound name
1,1-dimethyl-3-[(E)-pyridazin-3-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 151.3
[M-H]- 208.06624 148.4
[M+NH4]+ 227.10734 161.7
[M+K]+ 248.03668 149.4
[M+H-H2O]+ 192.07078 135.9
[M+HCOO]- 254.07172 165.9
[M+CH3COO]- 268.08737 195.3
[M+Na-2H]- 230.04819 150.1
[M]+ 209.07297 145.8
[M]- 209.07407 145.8
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.