CID 3088324

1-(1-imino-2-(2-(phenylthio)phenyl)ethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C19H22N2S
SMILES
C1CCN(CC1)C(=N)CC2=CC=CC=C2SC3=CC=CC=C3
InChI
InChI=1S/C19H22N2S/c20-19(21-13-7-2-8-14-21)15-16-9-5-6-12-18(16)22-17-10-3-1-4-11-17/h1,3-6,9-12,20H,2,7-8,13-15H2
InChIKey
DGHZWHVOWUYTRB-UHFFFAOYSA-N
Compound name
2-(2-phenylsulfanylphenyl)-1-piperidin-1-ylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.15036 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.157636 172.1
[M+Na]+ 333.139578 175.5
[M-H]- 309.143084 178.8
[M+NH4]+ 328.184183 184.8
[M+K]+ 349.113518 169.0
[M+H-H2O]+ 293.147620 162.6
[M+HCOO]- 355.148561 185.9
[M+CH3COO]- 369.164211 181.0
[M+Na-2H]- 331.125026 173.2
[M]+ 310.14981142 167.1
[M]- 310.15090858 167.1
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.