CID 44235406

3-ap-me

Structural Information

Molecular Formula
C9H13N5S
SMILES
CN(C)C(=S)N/N=C/C1=C(C=CC=N1)N
InChI
InChI=1S/C9H13N5S/c1-14(2)9(15)13-12-6-8-7(10)4-3-5-11-8/h3-6H,10H2,1-2H3,(H,13,15)/b12-6+
InChIKey
DQVSEUUIXQTWRB-WUXMJOGZSA-N
Compound name
3-[(E)-(3-aminopyridin-2-yl)methylideneamino]-1,1-dimethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.08917 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09645 148.9
[M+Na]+ 246.07839 155.1
[M-H]- 222.08189 153.6
[M+NH4]+ 241.12299 166.3
[M+K]+ 262.05233 152.7
[M+H-H2O]+ 206.08643 140.4
[M+HCOO]- 268.08737 171.3
[M+CH3COO]- 282.10302 201.2
[M+Na-2H]- 244.06384 152.5
[M]+ 223.08862 148.5
[M]- 223.08972 148.5
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

No patent data available for this compound.