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 158.4
[M+Na]+ 290.10462 162.9
[M-H]- 266.10812 159.6
[M+NH4]+ 285.14922 170.0
[M+K]+ 306.07856 158.5
[M+H-H2O]+ 250.11266 148.9
[M+HCOO]- 312.11360 171.3
[M+CH3COO]- 326.12925 197.8
[M+Na-2H]- 288.09007 160.8
[M]+ 267.11485 153.9
[M]- 267.11595 153.9
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.