CID 9571140

2-methyl-3-[(e)-3-pyridylmethyleneamino]isothiourea

Structural Information

Molecular Formula
C8H10N4S
SMILES
CS/C(=N\N=C\C1=CN=CC=C1)/N
InChI
InChI=1S/C8H10N4S/c1-13-8(9)12-11-6-7-3-2-4-10-5-7/h2-6H,1H3,(H2,9,12)/b11-6+
InChIKey
CIKQLZKXQXQUDS-IZZDOVSWSA-N
Compound name
methyl N'-[(E)-pyridin-3-ylmethylideneamino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.06262 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06990 140.0
[M+Na]+ 217.05184 146.9
[M-H]- 193.05534 144.5
[M+NH4]+ 212.09644 158.8
[M+K]+ 233.02578 144.3
[M+H-H2O]+ 177.05988 131.9
[M+HCOO]- 239.06082 162.9
[M+CH3COO]- 253.07647 191.0
[M+Na-2H]- 215.03729 145.4
[M]+ 194.06207 140.3
[M]- 194.06317 140.3
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.