CID 5917427

Nsc354671

Structural Information

Molecular Formula
C15H18N6S2
SMILES
C/C(=N/NC(=S)N1CCN(CC1)C2=CC=CC=N2)/C3=NC=CS3
InChI
InChI=1S/C15H18N6S2/c1-12(14-17-6-11-23-14)18-19-15(22)21-9-7-20(8-10-21)13-4-2-3-5-16-13/h2-6,11H,7-10H2,1H3,(H,19,22)/b18-12-
InChIKey
YEZYPWUWHPJFLE-PDGQHHTCSA-N
Compound name
4-pyridin-2-yl-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]piperazine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.10342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11070 175.2
[M+Na]+ 369.09264 181.2
[M-H]- 345.09614 180.2
[M+NH4]+ 364.13724 185.5
[M+K]+ 385.06658 174.9
[M+H-H2O]+ 329.10068 165.7
[M+HCOO]- 391.10162 183.9
[M+CH3COO]- 405.11727 183.6
[M+Na-2H]- 367.07809 174.6
[M]+ 346.10287 172.5
[M]- 346.10397 172.5
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.