CID 3063654

Cyclopentanecarboxamide, n-(2-(dimethylamino)ethyl)-1-(phenylthio)-, hydrochloride

Structural Information

Molecular Formula
C16H24N2OS
SMILES
CN(C)CCNC(=O)C1(CCCC1)SC2=CC=CC=C2
InChI
InChI=1S/C16H24N2OS/c1-18(2)13-12-17-15(19)16(10-6-7-11-16)20-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,17,19)
InChIKey
XOLLVCCGMLSRDA-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.16095 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16823 170.0
[M+Na]+ 315.15017 177.8
[M+NH4]+ 310.19477 179.7
[M+K]+ 331.12411 169.3
[M-H]- 291.15367 174.4
[M+Na-2H]- 313.13562 177.3
[M]+ 292.16040 172.7
[M]- 292.16150 172.7
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.