CID 4176782

477333-00-9

Structural Information

Molecular Formula
C18H11Cl2N3O4S
SMILES
CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H11Cl2N3O4S/c1-8-21-22-18(28-8)23-14(9-4-5-10(19)11(20)7-9)13(16(25)17(23)26)15(24)12-3-2-6-27-12/h2-7,14,25H,1H3
InChIKey
UPYZPVYYEXEJBI-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.98474 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.99202 196.6
[M+Na]+ 457.97396 211.7
[M+NH4]+ 453.01856 202.7
[M+K]+ 473.94790 208.9
[M-H]- 433.97746 201.8
[M+Na-2H]- 455.95941 202.5
[M]+ 434.98419 201.2
[M]- 434.98529 201.2
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.