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]+ 311.15764 172.1
[M+Na]+ 333.13958 175.5
[M-H]- 309.14308 178.8
[M+NH4]+ 328.18418 184.8
[M+K]+ 349.11352 169.0
[M+H-H2O]+ 293.14762 162.6
[M+HCOO]- 355.14856 185.9
[M+CH3COO]- 369.16421 181.0
[M+Na-2H]- 331.12503 173.2
[M]+ 310.14981 167.1
[M]- 310.15091 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.