CID 3063660

Cyclopentanecarboxylic acid, 1-((p-chlorophenyl)thio)-, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C18H26ClNO2S
SMILES
CCN(CC)CCOC(=O)C1(CCCC1)SC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H26ClNO2S/c1-3-20(4-2)13-14-22-17(21)18(11-5-6-12-18)23-16-9-7-15(19)8-10-16/h7-10H,3-6,11-14H2,1-2H3
InChIKey
JOCGZNNLKBDMFQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-(4-chlorophenyl)sulfanylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13727 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14455 185.6
[M+Na]+ 378.12649 190.3
[M-H]- 354.12999 192.6
[M+NH4]+ 373.17109 203.8
[M+K]+ 394.10043 186.1
[M+H-H2O]+ 338.13453 179.4
[M+HCOO]- 400.13547 198.0
[M+CH3COO]- 414.15112 214.0
[M+Na-2H]- 376.11194 183.4
[M]+ 355.13672 191.2
[M]- 355.13782 191.2
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.