CID 16429133

623939-85-5

Structural Information

Molecular Formula
C26H26FN3OS2
SMILES
CCCCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)C)F)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C26H26FN3OS2/c1-3-4-5-9-14-29-25(31)23(33-26(29)32)16-20-17-30(21-10-7-6-8-11-21)28-24(20)19-13-12-18(2)22(27)15-19/h6-8,10-13,15-17H,3-5,9,14H2,1-2H3/b23-16-
InChIKey
ZVDMHROESWWMOJ-KQWNVCNZSA-N
Compound name
(5Z)-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.15015 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.15743 215.0
[M+Na]+ 502.13937 225.4
[M-H]- 478.14287 223.4
[M+NH4]+ 497.18397 224.3
[M+K]+ 518.11331 215.1
[M+H-H2O]+ 462.14741 205.9
[M+HCOO]- 524.14835 223.2
[M+CH3COO]- 538.16400 223.0
[M+Na-2H]- 500.12482 204.5
[M]+ 479.14960 218.5
[M]- 479.15070 218.5
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.