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

8
Patents

361.0885 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.095776 183.2
[M+Na]+ 384.077718 193.0
[M-H]- 360.081224 190.0
[M+NH4]+ 379.122323 192.6
[M+K]+ 400.051658 185.3
[M+H-H2O]+ 344.085760 172.2
[M+HCOO]- 406.086701 197.3
[M+CH3COO]- 420.102351 192.9
[M+Na-2H]- 382.063166 188.0
[M]+ 361.08795142 185.7
[M]- 361.08904858 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