CID 10785298

882865-07-8

Structural Information

Molecular Formula
C21H21ClN2S
SMILES
C1CN(CCC1SC2=NC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H21ClN2S/c22-18-8-5-16(6-9-18)15-24-13-11-19(12-14-24)25-21-10-7-17-3-1-2-4-20(17)23-21/h1-10,19H,11-15H2
InChIKey
FKVXFPMQKUFPFE-UHFFFAOYSA-N
Compound name
2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]sulfanylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1114 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.11868 184.3
[M+Na]+ 391.10062 191.5
[M-H]- 367.10412 190.7
[M+NH4]+ 386.14522 195.9
[M+K]+ 407.07456 182.8
[M+H-H2O]+ 351.10866 174.1
[M+HCOO]- 413.10960 191.0
[M+CH3COO]- 427.12525 192.9
[M+Na-2H]- 389.08607 186.0
[M]+ 368.11085 184.1
[M]- 368.11195 184.1
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.