CID 1272958

477330-44-2

Structural Information

Molecular Formula
C25H22N2O4S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C25H22N2O4S/c1-16-8-11-18(12-9-16)27-24(29)19-6-4-5-7-20(19)26-25(27)32-15-21(28)17-10-13-22(30-2)23(14-17)31-3/h4-14H,15H2,1-3H3
InChIKey
STCNMTGIWWHTHT-UHFFFAOYSA-N
Compound name
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.13004 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.13732 206.2
[M+Na]+ 469.11926 223.7
[M+NH4]+ 464.16386 213.1
[M+K]+ 485.09320 212.7
[M-H]- 445.12276 212.3
[M+Na-2H]- 467.10471 215.5
[M]+ 446.12949 211.2
[M]- 446.13059 211.2
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.