CID 18516279

Thieno[2,3-d]pyridazin-4(5h)-one

Structural Information

Molecular Formula
C6H4N2OS
SMILES
C1=CSC2=C1C(=O)NN=C2
InChI
InChI=1S/C6H4N2OS/c9-6-4-1-2-10-5(4)3-7-8-6/h1-3H,(H,8,9)
InChIKey
VOIKXRQSXFJVMT-UHFFFAOYSA-N
Compound name
5H-thieno[2,3-d]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

152.00444 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.011716 124.0
[M+Na]+ 174.993658 136.8
[M-H]- 150.997164 126.1
[M+NH4]+ 170.038263 145.9
[M+K]+ 190.967598 132.8
[M+H-H2O]+ 135.001700 118.6
[M+HCOO]- 197.002641 143.1
[M+CH3COO]- 211.018291 138.9
[M+Na-2H]- 172.979106 130.8
[M]+ 152.00389142 126.7
[M]- 152.00498858 126.7
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

patents stripe