CID 457547

3-(4-methoxyphenyl)-2-trimethylsilylsulfanyl-quinazolin-4-one

Structural Information

Molecular Formula
C18H20N2O2SSi
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[Si](C)(C)C
InChI
InChI=1S/C18H20N2O2SSi/c1-22-14-11-9-13(10-12-14)20-17(21)15-7-5-6-8-16(15)19-18(20)23-24(2,3)4/h5-12H,1-4H3
InChIKey
DVSRZBDMIHRFFH-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-2-trimethylsilylsulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.10147 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10875 183.1
[M+Na]+ 379.09069 193.1
[M-H]- 355.09419 188.4
[M+NH4]+ 374.13529 195.9
[M+K]+ 395.06463 187.3
[M+H-H2O]+ 339.09873 174.0
[M+HCOO]- 401.09967 196.7
[M+CH3COO]- 415.11532 212.1
[M+Na-2H]- 377.07614 186.8
[M]+ 356.10092 188.9
[M]- 356.10202 188.9
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.