CID 1309829

624724-18-1

Structural Information

Molecular Formula
C25H18FN3O3S2
SMILES
COC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4)C5=CC=CC=C5)F
InChI
InChI=1S/C25H18FN3O3S2/c1-31-21-10-9-16(12-20(21)26)23-17(14-29(27-23)18-6-3-2-4-7-18)13-22-24(30)28(25(33)34-22)15-19-8-5-11-32-19/h2-14H,15H2,1H3/b22-13-
InChIKey
APNBLAGDHUDPNB-XKZIYDEJSA-N
Compound name
(5Z)-5-[[3-(3-fluoro-4-methoxyphenyl)-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

491.07736 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.08464 215.2
[M+Na]+ 514.06658 229.4
[M+NH4]+ 509.11118 221.2
[M+K]+ 530.04052 223.0
[M-H]- 490.07008 222.4
[M+Na-2H]- 512.05203 222.1
[M]+ 491.07681 220.2
[M]- 491.07791 220.2
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.