CID 1887239

763114-85-8

Structural Information

Molecular Formula
C24H19ClN2O3S
SMILES
CCOC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H19ClN2O3S/c1-2-30-19-13-7-16(8-14-19)22(28)15-31-24-26-21-6-4-3-5-20(21)23(29)27(24)18-11-9-17(25)10-12-18/h3-14H,2,15H2,1H3
InChIKey
RGVPOZSDSOBUCY-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.0805 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.08778 204.4
[M+Na]+ 473.06972 214.2
[M-H]- 449.07322 212.4
[M+NH4]+ 468.11432 212.7
[M+K]+ 489.04366 206.0
[M+H-H2O]+ 433.07776 193.8
[M+HCOO]- 495.07870 214.0
[M+CH3COO]- 509.09435 213.2
[M+Na-2H]- 471.05517 205.6
[M]+ 450.07995 212.3
[M]- 450.08105 212.3
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.