CID 3060284

Brn 5097884

Structural Information

Molecular Formula
C12H19N5OS
SMILES
CC1=CC(=NC(=N1)SCC(=O)NN)N2CCCCC2
InChI
InChI=1S/C12H19N5OS/c1-9-7-10(17-5-3-2-4-6-17)15-12(14-9)19-8-11(18)16-13/h7H,2-6,8,13H2,1H3,(H,16,18)
InChIKey
BGQDRVAAXQWHGW-UHFFFAOYSA-N
Compound name
2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.13104 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13832 162.5
[M+Na]+ 304.12026 171.9
[M+NH4]+ 299.16486 168.9
[M+K]+ 320.09420 164.9
[M-H]- 280.12376 165.1
[M+Na-2H]- 302.10571 167.7
[M]+ 281.13049 164.6
[M]- 281.13159 164.6
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.