CID 9579103

4-(2-pyridinyl)-n'-[(1e)-1-(2-pyridinyl)propylidene]-1-piperazinecarbothiohydrazide

Structural Information

Molecular Formula
C18H22N6S
SMILES
CC/C(=N\NC(=S)N1CCN(CC1)C2=CC=CC=N2)/C3=CC=CC=N3
InChI
InChI=1S/C18H22N6S/c1-2-15(16-7-3-5-9-19-16)21-22-18(25)24-13-11-23(12-14-24)17-8-4-6-10-20-17/h3-10H,2,11-14H2,1H3,(H,22,25)/b21-15+
InChIKey
BJMYXYUSGPLEQN-RCCKNPSSSA-N
Compound name
4-pyridin-2-yl-N-[(E)-1-pyridin-2-ylpropylideneamino]piperazine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.16266 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16994 182.6
[M+Na]+ 377.15188 186.3
[M-H]- 353.15538 186.8
[M+NH4]+ 372.19648 189.7
[M+K]+ 393.12582 179.8
[M+H-H2O]+ 337.15992 170.7
[M+HCOO]- 399.16086 194.4
[M+CH3COO]- 413.17651 189.8
[M+Na-2H]- 375.13733 184.9
[M]+ 354.16211 178.5
[M]- 354.16321 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.