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 171.5
[M+Na]+ 335.13192 175.2
[M-H]- 311.13542 174.9
[M+NH4]+ 330.17652 185.6
[M+K]+ 351.10586 168.7
[M+H-H2O]+ 295.13996 163.5
[M+HCOO]- 357.14090 180.9
[M+CH3COO]- 371.15655 205.0
[M+Na-2H]- 333.11737 172.0
[M]+ 312.14215 171.4
[M]- 312.14325 171.4
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.