CID 3006019

4-(2-pyridinyl)-n'-[1-(2-quinolinyl)ethyl]-1-piperazinecarbothiohydrazide

Structural Information

Molecular Formula
C21H24N6S
SMILES
CC(C1=NC2=CC=CC=C2C=C1)NNC(=S)N3CCN(CC3)C4=CC=CC=N4
InChI
InChI=1S/C21H24N6S/c1-16(18-10-9-17-6-2-3-7-19(17)23-18)24-25-21(28)27-14-12-26(13-15-27)20-8-4-5-11-22-20/h2-11,16,24H,12-15H2,1H3,(H,25,28)
InChIKey
PZVZWCWTBPLHJV-UHFFFAOYSA-N
Compound name
4-pyridin-2-yl-N'-(1-quinolin-2-ylethyl)piperazine-1-carbothiohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.1783 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18558 188.9
[M+Na]+ 415.16752 192.7
[M-H]- 391.17102 192.5
[M+NH4]+ 410.21212 194.8
[M+K]+ 431.14146 184.9
[M+H-H2O]+ 375.17556 177.3
[M+HCOO]- 437.17650 197.9
[M+CH3COO]- 451.19215 195.1
[M+Na-2H]- 413.15297 192.6
[M]+ 392.17775 184.2
[M]- 392.17885 184.2
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.