CID 135844461

880313-10-0

Structural Information

Molecular Formula
C20H12Cl2N2O3S
SMILES
C1=CC(=CC=C1N=C2NC(=O)/C(=C\C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl)/S2)O
InChI
InChI=1S/C20H12Cl2N2O3S/c21-15-7-1-11(9-16(15)22)17-8-6-14(27-17)10-18-19(26)24-20(28-18)23-12-2-4-13(25)5-3-12/h1-10,25H,(H,23,24,26)/b18-10+
InChIKey
UPQKROPZXASXBH-VCHYOVAHSA-N
Compound name
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.99457 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.00185 202.7
[M+Na]+ 452.98379 213.4
[M-H]- 428.98729 214.5
[M+NH4]+ 448.02839 214.8
[M+K]+ 468.95773 205.5
[M+H-H2O]+ 412.99183 196.5
[M+HCOO]- 474.99277 210.5
[M+CH3COO]- 489.00842 212.6
[M+Na-2H]- 450.96924 197.6
[M]+ 429.99402 206.7
[M]- 429.99512 206.7
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.