CID 20846438

Brn 4606670

Structural Information

Molecular Formula
C26H20Cl2N2O4S
SMILES
COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)CC4=C(C=C(C=C4)Cl)Cl)OC
InChI
InChI=1S/C26H20Cl2N2O4S/c1-33-22-11-8-16(13-23(22)34-2)12-20-24(31)29(15-17-9-10-18(27)14-21(17)28)26(35)30(25(20)32)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3/b20-12-
InChIKey
HYHZGWHCUVCJJW-NDENLUEZSA-N
Compound name
(5Z)-1-[(2,4-dichlorophenyl)methyl]-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.05206 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.05934 224.1
[M+Na]+ 549.04128 242.3
[M+NH4]+ 544.08588 230.4
[M+K]+ 565.01522 229.8
[M-H]- 525.04478 230.8
[M+Na-2H]- 547.02673 232.3
[M]+ 526.05151 229.8
[M]- 526.05261 229.8
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.