CID 6448524

Brn 5365493

Structural Information

Molecular Formula
C27H19N3O3S2
SMILES
CC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=CC=C3O)/C(=O)N(C2=S)C4=NC(=CS4)C5=CC=CC=C5
InChI
InChI=1S/C27H19N3O3S2/c1-17-9-5-7-13-22(17)29-24(32)20(15-19-12-6-8-14-23(19)31)25(33)30(27(29)34)26-28-21(16-35-26)18-10-3-2-4-11-18/h2-16,31H,1H3/b20-15+
InChIKey
ZLZKTVFVIRCGQQ-HMMYKYKNSA-N
Compound name
(5E)-5-[(2-hydroxyphenyl)methylidene]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.0868 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.09408 215.4
[M+Na]+ 520.07602 231.8
[M+NH4]+ 515.12062 221.8
[M+K]+ 536.04996 220.9
[M-H]- 496.07952 223.4
[M+Na-2H]- 518.06147 224.8
[M]+ 497.08625 221.0
[M]- 497.08735 221.0
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.