CID 6410614

Brn 5538028

Structural Information

Molecular Formula
C14H15N3S
SMILES
CC1=CC=C(C=C1)C(C2=NN=C(C=C2)C)C(=S)N
InChI
InChI=1S/C14H15N3S/c1-9-3-6-11(7-4-9)13(14(15)18)12-8-5-10(2)16-17-12/h3-8,13H,1-2H3,(H2,15,18)
InChIKey
WCZHGHNVKQAXHY-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-2-(6-methylpyridazin-3-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.09866 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10594 157.8
[M+Na]+ 280.08788 171.2
[M+NH4]+ 275.13248 165.9
[M+K]+ 296.06182 162.6
[M-H]- 256.09138 161.9
[M+Na-2H]- 278.07333 165.9
[M]+ 257.09811 161.3
[M]- 257.09921 161.3
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.