CID 2186518

607384-94-1

Structural Information

Molecular Formula
C20H12N4O3S
SMILES
CN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(=NC(=O)C(=N4)C5=CC=CC=C5)S3)/C1=O
InChI
InChI=1S/C20H12N4O3S/c1-23-13-10-6-5-9-12(13)14(18(23)26)16-19(27)24-20(28-16)21-17(25)15(22-24)11-7-3-2-4-8-11/h2-10H,1H3/b16-14-
InChIKey
OERCPNAHYRFVQC-PEZBUJJGSA-N
Compound name
(2Z)-2-(1-methyl-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

388.06302 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.07030 190.3
[M+Na]+ 411.05224 207.7
[M+NH4]+ 406.09684 197.2
[M+K]+ 427.02618 201.3
[M-H]- 387.05574 194.7
[M+Na-2H]- 409.03769 197.4
[M]+ 388.06247 194.6
[M]- 388.06357 194.6
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.