CID 3000983

D47h5r5swu

Structural Information

Molecular Formula
C18H20ClNO4S
SMILES
CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)OCC(=O)OC(C)(C)C
InChI
InChI=1S/C18H20ClNO4S/c1-11-13(7-8-22-11)17(25)20-12-5-6-14(19)15(9-12)23-10-16(21)24-18(2,3)4/h5-9H,10H2,1-4H3,(H,20,25)
InChIKey
MXWANWXCDBGYTQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-[2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

381.08017 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08745 190.7
[M+Na]+ 404.06939 198.4
[M-H]- 380.07289 198.9
[M+NH4]+ 399.11399 204.7
[M+K]+ 420.04333 194.9
[M+H-H2O]+ 364.07743 185.0
[M+HCOO]- 426.07837 202.8
[M+CH3COO]- 440.09402 216.3
[M+Na-2H]- 402.05484 189.5
[M]+ 381.07962 199.8
[M]- 381.08072 199.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.