CID 6410626

Brn 5745843

Structural Information

Molecular Formula
C12H13N3S
SMILES
CC1=CC(=C(N=N1)N)SCC2=CC=CC=C2
InChI
InChI=1S/C12H13N3S/c1-9-7-11(12(13)15-14-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,15)
InChIKey
XYZAYKHRBFBXRK-UHFFFAOYSA-N
Compound name
4-benzylsulfanyl-6-methylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08302 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09030 149.7
[M+Na]+ 254.07224 164.3
[M+NH4]+ 249.11684 158.7
[M+K]+ 270.04618 154.5
[M-H]- 230.07574 154.6
[M+Na-2H]- 252.05769 159.1
[M]+ 231.08247 153.8
[M]- 231.08357 153.8
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.