CID 135489885

Nsc690590

Structural Information

Molecular Formula
C6H6N4S
SMILES
CC1=NC2=C(N1)C=NNC2=S
InChI
InChI=1S/C6H6N4S/c1-3-8-4-2-7-10-6(11)5(4)9-3/h2H,1H3,(H,8,9)(H,10,11)
InChIKey
MPLBNIFDWSXPGU-UHFFFAOYSA-N
Compound name
2-methyl-3,6-dihydroimidazo[4,5-d]pyridazine-7-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.03131 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03859 130.7
[M+Na]+ 189.02053 144.3
[M-H]- 165.02403 129.0
[M+NH4]+ 184.06513 149.0
[M+K]+ 204.99447 138.5
[M+H-H2O]+ 149.02857 124.6
[M+HCOO]- 211.02951 145.4
[M+CH3COO]- 225.04516 143.9
[M+Na-2H]- 187.00598 135.9
[M]+ 166.03076 131.6
[M]- 166.03186 131.6
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.