CID 5838622

623935-50-2

Structural Information

Molecular Formula
C24H16ClN3O2S2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)/C=C\4/C(=O)N(C(=S)S4)CC5=CC=CO5
InChI
InChI=1S/C24H16ClN3O2S2/c25-18-10-8-16(9-11-18)22-17(14-28(26-22)19-5-2-1-3-6-19)13-21-23(29)27(24(31)32-21)15-20-7-4-12-30-20/h1-14H,15H2/b21-13-
InChIKey
MDOLRCFDHSDJIQ-BKUYFWCQSA-N
Compound name
(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.03726 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.04454 208.4
[M+Na]+ 500.02648 225.0
[M+NH4]+ 495.07108 216.2
[M+K]+ 516.00042 217.0
[M-H]- 476.02998 217.6
[M+Na-2H]- 498.01193 217.1
[M]+ 477.03671 214.7
[M]- 477.03781 214.7
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.