CID 56948

Brn 5588000

Structural Information

Molecular Formula
C11H17N5OS
SMILES
C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)NN
InChI
InChI=1S/C11H17N5OS/c12-15-10(17)7-18-11-6-9(13-8-14-11)16-4-2-1-3-5-16/h6,8H,1-5,7,12H2,(H,15,17)
InChIKey
CPWVJERFXRBJID-UHFFFAOYSA-N
Compound name
2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1154 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12268 157.6
[M+Na]+ 290.10462 166.8
[M+NH4]+ 285.14922 164.1
[M+K]+ 306.07856 159.8
[M-H]- 266.10812 160.1
[M+Na-2H]- 288.09007 163.2
[M]+ 267.11485 159.6
[M]- 267.11595 159.6
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.