CID 6247175

(5z)-2-(4-ethoxyphenyl)-5-{[3-(4-methylphenyl)-1-phenyl-1h-pyrazol-4-yl]methylene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C29H23N5O2S
SMILES
CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CN(N=C4C5=CC=C(C=C5)C)C6=CC=CC=C6)/SC3=N2
InChI
InChI=1S/C29H23N5O2S/c1-3-36-24-15-13-21(14-16-24)27-30-29-34(32-27)28(35)25(37-29)17-22-18-33(23-7-5-4-6-8-23)31-26(22)20-11-9-19(2)10-12-20/h4-18H,3H2,1-2H3/b25-17-
InChIKey
AAGDJNGEEFSXJX-UQQQWYQISA-N
Compound name
(5Z)-2-(4-ethoxyphenyl)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.15726 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.16454 219.7
[M+Na]+ 528.14648 238.9
[M+NH4]+ 523.19108 226.2
[M+K]+ 544.12042 232.5
[M-H]- 504.14998 228.0
[M+Na-2H]- 526.13193 231.1
[M]+ 505.15671 225.5
[M]- 505.15781 225.5
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.