CID 3088195

117038-05-8

Structural Information

Molecular Formula
C20H15N3O2S
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S(=O)CC4=CC=CC=N4
InChI
InChI=1S/C20H15N3O2S/c24-19-17-11-4-5-12-18(17)22-20(23(19)16-9-2-1-3-10-16)26(25)14-15-8-6-7-13-21-15/h1-13H,14H2
InChIKey
RQODJPLBSBDZLJ-UHFFFAOYSA-N
Compound name
3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

361.0885 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09578 183.2
[M+Na]+ 384.07772 193.0
[M-H]- 360.08122 190.0
[M+NH4]+ 379.12232 192.6
[M+K]+ 400.05166 185.3
[M+H-H2O]+ 344.08576 172.2
[M+HCOO]- 406.08670 197.3
[M+CH3COO]- 420.10235 192.9
[M+Na-2H]- 382.06317 188.0
[M]+ 361.08795 185.7
[M]- 361.08905 185.7
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

patents stripe