CID 3063641

N,n-diethyl-1-(phenylthio)cyclopentanecarboxamide

Structural Information

Molecular Formula
C16H23NOS
SMILES
CCN(CC)C(=O)C1(CCCC1)SC2=CC=CC=C2
InChI
InChI=1S/C16H23NOS/c1-3-17(4-2)15(18)16(12-8-9-13-16)19-14-10-6-5-7-11-14/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3
InChIKey
KQODSHIRCKEQSW-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-phenylsulfanylcyclopentane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.15002 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15730 167.7
[M+Na]+ 300.13924 172.0
[M-H]- 276.14274 174.9
[M+NH4]+ 295.18384 188.1
[M+K]+ 316.11318 169.5
[M+H-H2O]+ 260.14728 161.0
[M+HCOO]- 322.14822 185.1
[M+CH3COO]- 336.16387 201.5
[M+Na-2H]- 298.12469 167.3
[M]+ 277.14947 168.8
[M]- 277.15057 168.8
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.