CID 3006016

4-methyl-n'-[1-(2-quinolinyl)ethyl]-1-piperidinecarbothiohydrazide

Structural Information

Molecular Formula
C18H24N4S
SMILES
CC1CCN(CC1)C(=S)NNC(C)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H24N4S/c1-13-9-11-22(12-10-13)18(23)21-20-14(2)16-8-7-15-5-3-4-6-17(15)19-16/h3-8,13-14,20H,9-12H2,1-2H3,(H,21,23)
InChIKey
IAGPJAGOHHKVHR-UHFFFAOYSA-N
Compound name
4-methyl-N'-(1-quinolin-2-ylethyl)piperidine-1-carbothiohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.17218 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17946 175.4
[M+Na]+ 351.16140 179.0
[M-H]- 327.16490 178.8
[M+NH4]+ 346.20600 187.4
[M+K]+ 367.13534 173.2
[M+H-H2O]+ 311.16944 166.2
[M+HCOO]- 373.17038 186.5
[M+CH3COO]- 387.18603 183.4
[M+Na-2H]- 349.14685 177.2
[M]+ 328.17163 171.3
[M]- 328.17273 171.3
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.