CID 1887617

754230-01-8

Structural Information

Molecular Formula
C24H20N2O4S
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=CC=C4)OC
InChI
InChI=1S/C24H20N2O4S/c1-29-18-12-10-17(11-13-18)26-23(28)20-8-3-4-9-21(20)25-24(26)31-15-22(27)16-6-5-7-19(14-16)30-2/h3-14H,15H2,1-2H3
InChIKey
UMSQBRXLQRZGFJ-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.11438 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.12166 201.1
[M+Na]+ 455.10360 218.5
[M+NH4]+ 450.14820 208.2
[M+K]+ 471.07754 207.6
[M-H]- 431.10710 207.2
[M+Na-2H]- 453.08905 210.9
[M]+ 432.11383 206.0
[M]- 432.11493 206.0
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.