CID 365515

125766-38-3

Structural Information

Molecular Formula
C19H15ClN4O5S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)S2
InChI
InChI=1S/C19H15ClN4O5S/c1-27-13-8-10(9-14(28-2)15(13)29-3)16-22-24-18(30-16)21-17(25)23(19(24)26)12-6-4-11(20)5-7-12/h4-9H,1-3H3
InChIKey
CDXZJOOBZOBFAO-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.04517 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.05245 203.3
[M+Na]+ 469.03439 221.8
[M+NH4]+ 464.07899 209.0
[M+K]+ 485.00833 213.9
[M-H]- 445.03789 207.3
[M+Na-2H]- 467.01984 210.9
[M]+ 446.04462 208.0
[M]- 446.04572 208.0
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.