CID 1588743

572885-94-0

Structural Information

Molecular Formula
C23H18Cl2N2O2S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H18Cl2N2O2S/c1-2-29-17-10-8-16(9-11-17)27-22(28)18-5-3-4-6-21(18)26-23(27)30-14-15-7-12-19(24)20(25)13-15/h3-13H,2,14H2,1H3
InChIKey
YVALDDCZCIMXFW-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.0466 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.05388 206.8
[M+Na]+ 479.03582 227.3
[M+NH4]+ 474.08042 215.8
[M+K]+ 495.00976 213.1
[M-H]- 455.03932 214.0
[M+Na-2H]- 477.02127 217.2
[M]+ 456.04605 213.3
[M]- 456.04715 213.3
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.