CID 3006024

Chembl169237

Structural Information

Molecular Formula
C23H26N4S
SMILES
CC(C1=NC=CC2=CC=CC=C21)NNC(=S)N3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H26N4S/c1-17(22-21-10-6-5-9-20(21)11-14-24-22)25-26-23(28)27-15-12-19(13-16-27)18-7-3-2-4-8-18/h2-11,14,17,19,25H,12-13,15-16H2,1H3,(H,26,28)
InChIKey
YEWNVDOHKKGYKO-UHFFFAOYSA-N
Compound name
N'-(1-isoquinolin-1-ylethyl)-4-phenylpiperidine-1-carbothiohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

390.1878 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19508 189.6
[M+Na]+ 413.17702 192.3
[M-H]- 389.18052 195.4
[M+NH4]+ 408.22162 198.3
[M+K]+ 429.15096 184.8
[M+H-H2O]+ 373.18506 178.8
[M+HCOO]- 435.18600 200.5
[M+CH3COO]- 449.20165 196.4
[M+Na-2H]- 411.16247 191.9
[M]+ 390.18725 184.5
[M]- 390.18835 184.5
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.