CID 2139188

607385-03-5

Structural Information

Molecular Formula
C22H16N4O3S
SMILES
CCCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(=NC(=O)C(=N4)C5=CC=CC=C5)S3)/C1=O
InChI
InChI=1S/C22H16N4O3S/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/h3-11H,2,12H2,1H3/b18-16-
InChIKey
PWMGASKXBNKEJJ-VLGSPTGOSA-N
Compound name
(2Z)-2-(2-oxo-1-propylindol-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

2
References

0
Patents

416.0943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.10158 198.8
[M+Na]+ 439.08352 215.8
[M+NH4]+ 434.12812 205.4
[M+K]+ 455.05746 208.9
[M-H]- 415.08702 203.1
[M+Na-2H]- 437.06897 205.5
[M]+ 416.09375 203.0
[M]- 416.09485 203.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.