CID 199282

Dithiotolperidine

Structural Information

Molecular Formula
C25H35NS2
SMILES
CCCCSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)SCCN3CCCCC3
InChI
InChI=1S/C25H35NS2/c1-3-4-19-27-24-14-12-23(13-15-24)25(22-10-8-21(2)9-11-22)28-20-18-26-16-6-5-7-17-26/h8-15,25H,3-7,16-20H2,1-2H3
InChIKey
HNNOVLGESKWRIK-UHFFFAOYSA-N
Compound name
1-[2-[(4-butylsulfanylphenyl)-(4-methylphenyl)methyl]sulfanylethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.2211 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.22838 196.6
[M+Na]+ 436.21032 199.0
[M-H]- 412.21382 202.1
[M+NH4]+ 431.25492 206.2
[M+K]+ 452.18426 190.8
[M+H-H2O]+ 396.21836 186.9
[M+HCOO]- 458.21930 202.0
[M+CH3COO]- 472.23495 203.0
[M+Na-2H]- 434.19577 192.3
[M]+ 413.22055 196.4
[M]- 413.22165 196.4
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.