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]+ 433.132876 205.7
[M+Na]+ 455.114818 218.7
[M-H]- 431.118324 215.6
[M+NH4]+ 450.159423 218.9
[M+K]+ 471.088758 212.5
[M+H-H2O]+ 415.122860 198.8
[M+HCOO]- 477.123801 220.7
[M+CH3COO]- 491.139451 216.3
[M+Na-2H]- 453.100266 199.5
[M]+ 432.12505142 214.7
[M]- 432.12614858 214.7
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.