CID 2415285

565195-76-8

Structural Information

Molecular Formula

C₁₈H₂₁ClN₂O₃S

SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CCNC(=O)CCl

InChI

InChI=1S/C18H21ClN2O3S/c1-18(2,3)13-6-4-12(5-7-13)10-14-16(23)21(17(24)25-14)9-8-20-15(22)11-19/h4-7,10H,8-9,11H2,1-3H3,(H,20,22)/b14-10+

InChIKey

JLYVXFMTJOSSSM-GXDHUFHOSA-N

Compound name

N-[2-[(5E)-5-[(4-tert-butylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-chloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 380.09613 Da
Monoisotopic Mass: 4.0
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]+	381.103406	191.5
[M+Na]+	403.085348	198.8
[M-H]-	379.088854	197.0
[M+NH4]+	398.129953	205.4
[M+K]+	419.059288	192.4
[M+H-H2O]+	363.093390	185.3
[M+HCOO]-	425.094331	201.3
[M+CH3COO]-	439.109981	216.2
[M+Na-2H]-	401.070796	187.9
[M]+	380.09558142	195.8
[M]-	380.09667858	195.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.