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 197.0
[M+Na]+ 425.06789 211.8
[M-H]- 401.07139 206.2
[M+NH4]+ 420.11249 209.4
[M+K]+ 441.04183 203.6
[M+H-H2O]+ 385.07593 188.5
[M+HCOO]- 447.07687 212.6
[M+CH3COO]- 461.09252 208.1
[M+Na-2H]- 423.05334 195.5
[M]+ 402.07812 203.8
[M]- 402.07922 203.8
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.