CID 5911905

Piprozolin

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₃S

SMILES

CCN1/C(=C/C(=O)OCC)/SC(C1=O)N2CCCCC2

InChI

InChI=1S/C14H22N2O3S/c1-3-16-11(10-12(17)19-4-2)20-14(13(16)18)15-8-6-5-7-9-15/h10,14H,3-9H2,1-2H3/b11-10-

InChIKey

UAXYBJSAPFTPNB-KHPPLWFESA-N

Compound name

ethyl (2Z)-2-(3-ethyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 660
Patents: 298.1351 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	299.14238	171.5
[M+Na]+	321.12432	176.5
[M-H]-	297.12782	174.5
[M+NH4]+	316.16892	186.4
[M+K]+	337.09826	173.3
[M+H-H2O]+	281.13236	164.0
[M+HCOO]-	343.13330	182.1
[M+CH3COO]-	357.14895	199.5
[M+Na-2H]-	319.10977	166.2
[M]+	298.13455	170.4
[M]-	298.13565	170.4

Literature stripe

literature stripe

Patent stripe

patents stripe