CID 457552

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

Structural Information

Molecular Formula
C17H17ClN2OSSi
SMILES
C[Si](C)(C)SC1=NC2=C(C=CC=C2Cl)C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C17H17ClN2OSSi/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
POVJOZCVWFVPJS-UHFFFAOYSA-N
Compound name
8-chloro-3-phenyl-2-trimethylsilylsulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.05194 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05922 180.6
[M+Na]+ 383.04116 191.9
[M-H]- 359.04466 186.0
[M+NH4]+ 378.08576 194.2
[M+K]+ 399.01510 184.4
[M+H-H2O]+ 343.04920 172.4
[M+HCOO]- 405.05014 189.8
[M+CH3COO]- 419.06579 191.4
[M+Na-2H]- 381.02661 184.2
[M]+ 360.05139 186.8
[M]- 360.05249 186.8
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.