CID 2139189

607384-96-3

Structural Information

Molecular Formula
C21H14N4O3S
SMILES
CCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(=NC(=O)C(=N4)C5=CC=CC=C5)S3)/C1=O
InChI
InChI=1S/C21H14N4O3S/c1-2-24-14-11-7-6-10-13(14)15(19(24)27)17-20(28)25-21(29-17)22-18(26)16(23-25)12-8-4-3-5-9-12/h3-11H,2H2,1H3/b17-15-
InChIKey
APBYGYBUYYMBIB-ICFOKQHNSA-N
Compound name
(2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.07867 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.08595 194.6
[M+Na]+ 425.06789 211.8
[M+NH4]+ 420.11249 201.3
[M+K]+ 441.04183 205.1
[M-H]- 401.07139 198.9
[M+Na-2H]- 423.05334 201.5
[M]+ 402.07812 198.8
[M]- 402.07922 198.8
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.