CID 3739435

763108-63-0

Structural Information

Molecular Formula
C25H22N2O3S
SMILES
CCOC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C
InChI
InChI=1S/C25H22N2O3S/c1-3-30-20-14-10-18(11-15-20)23(28)16-31-25-26-22-7-5-4-6-21(22)24(29)27(25)19-12-8-17(2)9-13-19/h4-15H,3,16H2,1-2H3
InChIKey
MEYOLJDCDPWWSX-UHFFFAOYSA-N
Compound name
2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.1351 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.14238 202.3
[M+Na]+ 453.12432 220.0
[M+NH4]+ 448.16892 209.8
[M+K]+ 469.09826 208.3
[M-H]- 429.12782 208.8
[M+Na-2H]- 451.10977 212.2
[M]+ 430.13455 207.4
[M]- 430.13565 207.4
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.