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 205.4
[M+Na]+ 453.09917 219.1
[M-H]- 429.10267 214.2
[M+NH4]+ 448.14377 216.5
[M+K]+ 469.07311 210.6
[M+H-H2O]+ 413.10721 196.4
[M+HCOO]- 475.10815 220.2
[M+CH3COO]- 489.12380 215.5
[M+Na-2H]- 451.08462 202.9
[M]+ 430.10940 212.7
[M]- 430.11050 212.7
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.