CID 5468190

Nsc665916

Structural Information

Molecular Formula
C9H13N5S
SMILES
C/C(=N/NC(=S)N(C)C)/C1=NN=CC=C1
InChI
InChI=1S/C9H13N5S/c1-7(8-5-4-6-10-12-8)11-13-9(15)14(2)3/h4-6H,1-3H3,(H,13,15)/b11-7-
InChIKey
KPEKCTFBTWLDON-XFFZJAGNSA-N
Compound name
1,1-dimethyl-3-[(Z)-1-pyridazin-3-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.08917 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09645 149.6
[M+Na]+ 246.07839 155.5
[M-H]- 222.08189 153.3
[M+NH4]+ 241.12299 166.0
[M+K]+ 262.05233 153.9
[M+H-H2O]+ 206.08643 140.7
[M+HCOO]- 268.08737 169.5
[M+CH3COO]- 282.10302 199.2
[M+Na-2H]- 244.06384 153.5
[M]+ 223.08862 150.6
[M]- 223.08972 150.6
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.