CID 1584564

477330-07-7

Structural Information

Molecular Formula
C22H17ClN2O2S
SMILES
COC1=CC=CC(=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H17ClN2O2S/c1-27-18-6-4-5-15(13-18)14-28-22-24-20-8-3-2-7-19(20)21(26)25(22)17-11-9-16(23)10-12-17/h2-13H,14H2,1H3
InChIKey
FPAGOQFLRDAVHX-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.06992 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.07720 194.2
[M+Na]+ 431.05914 205.4
[M-H]- 407.06264 202.4
[M+NH4]+ 426.10374 204.6
[M+K]+ 447.03308 196.8
[M+H-H2O]+ 391.06718 183.9
[M+HCOO]- 453.06812 205.1
[M+CH3COO]- 467.08377 204.2
[M+Na-2H]- 429.04459 197.0
[M]+ 408.06937 201.3
[M]- 408.07047 201.3
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.