CID 2188672

607385-10-4

Structural Information

Molecular Formula
C22H14N4O3S
SMILES
C=CCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(=NC(=O)C(=N4)C5=CC=CC=C5)S3)/C1=O
InChI
InChI=1S/C22H14N4O3S/c1-2-12-25-15-11-7-6-10-14(15)16(20(25)28)18-21(29)26-22(30-18)23-19(27)17(24-26)13-8-4-3-5-9-13/h2-11H,1,12H2/b18-16-
InChIKey
GYQVVDBGGWKJBC-VLGSPTGOSA-N
Compound name
(2Z)-2-(2-oxo-1-prop-2-enylindol-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

414.07867 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.08595 198.2
[M+Na]+ 437.06789 215.2
[M+NH4]+ 432.11249 204.5
[M+K]+ 453.04183 208.3
[M-H]- 413.07139 202.3
[M+Na-2H]- 435.05334 204.8
[M]+ 414.07812 202.3
[M]- 414.07922 202.3
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.