CID 3741022

573930-30-0

Structural Information

Molecular Formula
C24H22N2O2S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC(=C4)C
InChI
InChI=1S/C24H22N2O2S/c1-3-28-20-13-11-19(12-14-20)26-23(27)21-9-4-5-10-22(21)25-24(26)29-16-18-8-6-7-17(2)15-18/h4-15H,3,16H2,1-2H3
InChIKey
OGGCGDUMHMQQRE-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1402 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14748 196.4
[M+Na]+ 425.12942 215.2
[M+NH4]+ 420.17402 205.0
[M+K]+ 441.10336 202.3
[M-H]- 401.13292 203.8
[M+Na-2H]- 423.11487 207.3
[M]+ 402.13965 202.1
[M]- 402.14075 202.1
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.