CID 1932336

371212-46-3

Structural Information

Molecular Formula
C23H20N4O3S
SMILES
CCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OC(C)C)S3)/C1=O
InChI
InChI=1S/C23H20N4O3S/c1-4-26-17-8-6-5-7-16(17)18(21(26)28)19-22(29)27-23(31-19)24-20(25-27)14-9-11-15(12-10-14)30-13(2)3/h5-13H,4H2,1-3H3/b19-18-
InChIKey
MUDFCUCLRNWCPF-HNENSFHCSA-N
Compound name
(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-(4-propan-2-yloxyphenyl)-[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

432.1256 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.13288 203.1
[M+Na]+ 455.11482 217.5
[M+NH4]+ 450.15942 209.5
[M+K]+ 471.08876 214.0
[M-H]- 431.11832 206.7
[M+Na-2H]- 453.10027 207.8
[M]+ 432.12505 206.6
[M]- 432.12615 206.6
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.