CID 1332538

623935-26-2

Structural Information

Molecular Formula
C24H21N5O2S
SMILES
CC(C)COC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N4C(=NC=N4)S3)C5=CC=CC=C5
InChI
InChI=1S/C24H21N5O2S/c1-16(2)14-31-20-10-8-17(9-11-20)22-18(13-28(27-22)19-6-4-3-5-7-19)12-21-23(30)29-24(32-21)25-15-26-29/h3-13,15-16H,14H2,1-2H3/b21-12-
InChIKey
SLUMTOOKYCXLDS-MTJSOVHGSA-N
Compound name
(5Z)-5-[[3-[4-(2-methylpropoxy)phenyl]-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

443.1416 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.14888 202.3
[M+Na]+ 466.13082 218.8
[M+NH4]+ 461.17542 208.5
[M+K]+ 482.10476 214.4
[M-H]- 442.13432 207.7
[M+Na-2H]- 464.11627 211.7
[M]+ 443.14105 206.8
[M]- 443.14215 206.8
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.