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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	403.085946	197.0
[M+Na]+	425.067888	211.8
[M-H]-	401.071394	206.2
[M+NH4]+	420.112493	209.4
[M+K]+	441.041828	203.6
[M+H-H2O]+	385.075930	188.5
[M+HCOO]-	447.076871	212.6
[M+CH3COO]-	461.092521	208.1
[M+Na-2H]-	423.053336	195.5
[M]+	402.07812142	203.8
[M]-	402.07921858	203.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.