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 203.2
[M+Na]+ 455.10360 211.9
[M-H]- 431.10710 211.2
[M+NH4]+ 450.14820 211.0
[M+K]+ 471.07754 205.5
[M+H-H2O]+ 415.11164 191.7
[M+HCOO]- 477.11258 217.3
[M+CH3COO]- 491.12823 212.0
[M+Na-2H]- 453.08905 204.8
[M]+ 432.11383 209.9
[M]- 432.11493 209.9
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.