CID 6448521

Brn 5363395

Structural Information

Molecular Formula
C26H17N3O3S2
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)/C(=C/C4=CC=CC=C4O)/C(=O)N(C3=S)C5=CC=CC=C5
InChI
InChI=1S/C26H17N3O3S2/c30-22-14-8-7-11-18(22)15-20-23(31)28(19-12-5-2-6-13-19)26(33)29(24(20)32)25-27-21(16-34-25)17-9-3-1-4-10-17/h1-16,30H/b20-15+
InChIKey
KSTHQEJSFPDOKF-HMMYKYKNSA-N
Compound name
(5E)-5-[(2-hydroxyphenyl)methylidene]-1-phenyl-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

483.07114 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.07842 214.9
[M+Na]+ 506.06036 224.4
[M-H]- 482.06386 225.5
[M+NH4]+ 501.10496 220.0
[M+K]+ 522.03430 213.6
[M+H-H2O]+ 466.06840 205.1
[M+HCOO]- 528.06934 222.0
[M+CH3COO]- 542.08499 222.0
[M+Na-2H]- 504.04581 209.6
[M]+ 483.07059 214.1
[M]- 483.07169 214.1
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.