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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10341 191.5
[M+Na]+ 403.08535 198.8
[M-H]- 379.08885 197.0
[M+NH4]+ 398.12995 205.4
[M+K]+ 419.05929 192.4
[M+H-H2O]+ 363.09339 185.3
[M+HCOO]- 425.09433 201.3
[M+CH3COO]- 439.10998 216.2
[M+Na-2H]- 401.07080 187.9
[M]+ 380.09558 195.8
[M]- 380.09668 195.8
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.