CID 6519189

607385-06-8

Structural Information

Molecular Formula
C23H18N4O3S
SMILES
CCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(=NC(=O)C(=N4)C5=CC=CC=C5)S3)/C1=O
InChI
InChI=1S/C23H18N4O3S/c1-2-3-13-26-16-12-8-7-11-15(16)17(21(26)29)19-22(30)27-23(31-19)24-20(28)18(25-27)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3/b19-17-
InChIKey
FNSKGQBRWYUMKF-ZPHPHTNESA-N
Compound name
(2Z)-2-(1-butyl-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

6
References

0
Patents

430.10995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.11723 203.1
[M+Na]+ 453.09917 219.8
[M+NH4]+ 448.14377 209.5
[M+K]+ 469.07311 212.8
[M-H]- 429.10267 207.3
[M+Na-2H]- 451.08462 209.5
[M]+ 430.10940 207.2
[M]- 430.11050 207.2
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.