CID 3022091

Nm-574

Structural Information

Molecular Formula
C16H25ClN2S
SMILES
C1CCN(CC1)CCCNCCSC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H25ClN2S/c17-15-5-7-16(8-6-15)20-14-10-18-9-4-13-19-11-2-1-3-12-19/h5-8,18H,1-4,9-14H2
InChIKey
WNHSHVFBQQHKMW-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-1-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1427 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14998 172.6
[M+Na]+ 335.13192 184.5
[M+NH4]+ 330.17652 182.0
[M+K]+ 351.10586 172.9
[M-H]- 311.13542 177.7
[M+Na-2H]- 333.11737 179.6
[M]+ 312.14215 176.5
[M]- 312.14325 176.5
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.