CID 9579519

1-(2-pyridyl)-3-[(e)-1-pyrimidin-4-ylethylideneamino]thiourea

Structural Information

Molecular Formula
C12H12N6S
SMILES
C/C(=N\NC(=S)NC1=CC=CC=N1)/C2=NC=NC=C2
InChI
InChI=1S/C12H12N6S/c1-9(10-5-7-13-8-15-10)17-18-12(19)16-11-4-2-3-6-14-11/h2-8H,1H3,(H2,14,16,18,19)/b17-9+
InChIKey
SCVGHVKIDLFRIE-RQZCQDPDSA-N
Compound name
1-pyridin-2-yl-3-[(E)-1-pyrimidin-4-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.0844 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09168 158.9
[M+Na]+ 295.07362 165.1
[M-H]- 271.07712 162.9
[M+NH4]+ 290.11822 171.0
[M+K]+ 311.04756 160.2
[M+H-H2O]+ 255.08166 148.8
[M+HCOO]- 317.08260 177.8
[M+CH3COO]- 331.09825 203.3
[M+Na-2H]- 293.05907 165.6
[M]+ 272.08385 157.8
[M]- 272.08495 157.8
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.