CID 2938000

624724-65-8

Structural Information

Molecular Formula
C26H25FN4O3S
SMILES
CC1CN(CC(O1)C)C2=NC(=O)/C(=C/C3=CN(N=C3C4=CC(=C(C=C4)OC)F)C5=CC=CC=C5)/S2
InChI
InChI=1S/C26H25FN4O3S/c1-16-13-30(14-17(2)34-16)26-28-25(32)23(35-26)12-19-15-31(20-7-5-4-6-8-20)29-24(19)18-9-10-22(33-3)21(27)11-18/h4-12,15-17H,13-14H2,1-3H3/b23-12-
InChIKey
SEYKVBKYECIZQZ-FMCGGJTJSA-N
Compound name
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.16315 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.17043 221.6
[M+Na]+ 515.15237 235.6
[M+NH4]+ 510.19697 226.6
[M+K]+ 531.12631 229.7
[M-H]- 491.15587 228.3
[M+Na-2H]- 513.13782 227.6
[M]+ 492.16260 225.9
[M]- 492.16370 225.9
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.