CID 43118354

3-amino-1-(6-methoxypyridin-3-yl)thiourea

Structural Information

Molecular Formula
C7H10N4OS
SMILES
COC1=NC=C(C=C1)NC(=S)NN
InChI
InChI=1S/C7H10N4OS/c1-12-6-3-2-5(4-9-6)10-7(13)11-8/h2-4H,8H2,1H3,(H2,10,11,13)
InChIKey
REIFNKZZYFDKDS-UHFFFAOYSA-N
Compound name
1-amino-3-(6-methoxypyridin-3-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.05753 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06481 139.5
[M+Na]+ 221.04675 146.3
[M-H]- 197.05025 141.6
[M+NH4]+ 216.09135 156.8
[M+K]+ 237.02069 143.2
[M+H-H2O]+ 181.05479 132.1
[M+HCOO]- 243.05573 159.7
[M+CH3COO]- 257.07138 187.8
[M+Na-2H]- 219.03220 143.9
[M]+ 198.05698 138.2
[M]- 198.05808 138.2
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.