CID 1991608

618432-27-2

Structural Information

Molecular Formula
C23H19ClN2O2S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4Cl
InChI
InChI=1S/C23H19ClN2O2S/c1-2-28-18-13-11-17(12-14-18)26-22(27)19-8-4-6-10-21(19)25-23(26)29-15-16-7-3-5-9-20(16)24/h3-14H,2,15H2,1H3
InChIKey
CCEBWULHFRFJAO-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.08557 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.09285 199.1
[M+Na]+ 445.07479 218.9
[M+NH4]+ 440.11939 208.1
[M+K]+ 461.04873 205.3
[M-H]- 421.07829 206.6
[M+Na-2H]- 443.06024 210.2
[M]+ 422.08502 205.3
[M]- 422.08612 205.3
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.