CID 9554762

Nsc148765

Structural Information

Molecular Formula
C6H7N5S
SMILES
C1=CC(=NN=C1)/C=N/NC(=S)N
InChI
InChI=1S/C6H7N5S/c7-6(12)11-9-4-5-2-1-3-8-10-5/h1-4H,(H3,7,11,12)/b9-4+
InChIKey
SSWZPIPQEAWSRW-RUDMXATFSA-N
Compound name
[(E)-pyridazin-3-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

181.04222 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04950 134.9
[M+Na]+ 204.03144 142.3
[M-H]- 180.03494 136.9
[M+NH4]+ 199.07604 152.1
[M+K]+ 220.00538 139.1
[M+H-H2O]+ 164.03948 126.8
[M+HCOO]- 226.04042 155.7
[M+CH3COO]- 240.05607 185.9
[M+Na-2H]- 202.01689 141.1
[M]+ 181.04167 133.2
[M]- 181.04277 133.2
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.