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 192.8
[M+Na]+ 411.05224 208.1
[M-H]- 387.05574 202.2
[M+NH4]+ 406.09684 205.7
[M+K]+ 427.02618 200.1
[M+H-H2O]+ 371.06028 184.5
[M+HCOO]- 433.06122 208.8
[M+CH3COO]- 447.07687 204.4
[M+Na-2H]- 409.03769 191.8
[M]+ 388.06247 199.4
[M]- 388.06357 199.4
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.