CID 9579515

Chembl109552

Structural Information

Molecular Formula
C10H15N5S
SMILES
CC1=NN=C(C=C1)/C(=N/NC(=S)N(C)C)/C
InChI
InChI=1S/C10H15N5S/c1-7-5-6-9(13-11-7)8(2)12-14-10(16)15(3)4/h5-6H,1-4H3,(H,14,16)/b12-8+
InChIKey
PUYUGOHGYLUNAC-XYOKQWHBSA-N
Compound name
1,1-dimethyl-3-[(E)-1-(6-methylpyridazin-3-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.10481 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11209 154.2
[M+Na]+ 260.09403 160.6
[M-H]- 236.09753 158.1
[M+NH4]+ 255.13863 170.3
[M+K]+ 276.06797 158.7
[M+H-H2O]+ 220.10207 145.4
[M+HCOO]- 282.10301 173.7
[M+CH3COO]- 296.11866 203.3
[M+Na-2H]- 258.07948 156.9
[M]+ 237.10426 155.9
[M]- 237.10536 155.9
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.