CID 3072947

145232-62-8

Structural Information

Molecular Formula
C22H27N3OS
SMILES
C1CN(CCC1CCNC(=S)NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H27N3OS/c26-21(20-9-5-2-6-10-20)24-22(27)23-14-11-18-12-15-25(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H2,23,24,26,27)
InChIKey
VZGIPERPUUMOQR-UHFFFAOYSA-N
Compound name
N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

381.18747 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19475 190.7
[M+Na]+ 404.17669 191.6
[M-H]- 380.18019 196.7
[M+NH4]+ 399.22129 199.9
[M+K]+ 420.15063 185.1
[M+H-H2O]+ 364.18473 180.3
[M+HCOO]- 426.18567 203.7
[M+CH3COO]- 440.20132 220.3
[M+Na-2H]- 402.16214 190.3
[M]+ 381.18692 186.0
[M]- 381.18802 186.0
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.