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 200.9
[M+Na]+ 437.06789 215.5
[M-H]- 413.07139 210.0
[M+NH4]+ 432.11249 212.7
[M+K]+ 453.04183 206.5
[M+H-H2O]+ 397.07593 192.3
[M+HCOO]- 459.07687 216.3
[M+CH3COO]- 473.09252 211.6
[M+Na-2H]- 435.05334 198.9
[M]+ 414.07812 207.3
[M]- 414.07922 207.3
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.