CID 1845063

477735-14-1

Structural Information

Molecular Formula
C23H17ClN2OS
SMILES
C1=CC=C(C=C1)/C=C/CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H17ClN2OS/c24-18-12-14-19(15-13-18)26-22(27)20-10-4-5-11-21(20)25-23(26)28-16-6-9-17-7-2-1-3-8-17/h1-15H,16H2/b9-6+
InChIKey
DIYZKYDHOSYGSV-RMKNXTFCSA-N
Compound name
3-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.075 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.08228 194.6
[M+Na]+ 427.06422 205.2
[M-H]- 403.06772 202.3
[M+NH4]+ 422.10882 205.0
[M+K]+ 443.03816 195.0
[M+H-H2O]+ 387.07226 184.2
[M+HCOO]- 449.07320 205.3
[M+CH3COO]- 463.08885 204.1
[M+Na-2H]- 425.04967 197.4
[M]+ 404.07445 199.4
[M]- 404.07555 199.4
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.