CID 457550

8-bromo-3-phenyl-2-trimethylsilylsulfanyl-quinazolin-4-one

Structural Information

Molecular Formula
C17H17BrN2OSSi
SMILES
C[Si](C)(C)SC1=NC2=C(C=CC=C2Br)C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C17H17BrN2OSSi/c1-23(2,3)22-17-19-15-13(10-7-11-14(15)18)16(21)20(17)12-8-5-4-6-9-12/h4-11H,1-3H3
InChIKey
GSKZDAWLPLTHGI-UHFFFAOYSA-N
Compound name
8-bromo-3-phenyl-2-trimethylsilylsulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.00143 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.00871 176.1
[M+Na]+ 426.99065 189.6
[M-H]- 402.99415 184.1
[M+NH4]+ 422.03525 191.3
[M+K]+ 442.96459 175.9
[M+H-H2O]+ 386.99869 174.8
[M+HCOO]- 448.99963 188.3
[M+CH3COO]- 463.01528 189.0
[M+Na-2H]- 424.97610 182.0
[M]+ 404.00088 198.8
[M]- 404.00198 198.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.