CID 457551

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

Structural Information

Molecular Formula
C18H19BrN2O2SSi
SMILES
COC1=CC=CC=C1N2C(=O)C3=C(C(=CC=C3)Br)N=C2S[Si](C)(C)C
InChI
InChI=1S/C18H19BrN2O2SSi/c1-23-15-11-6-5-10-14(15)21-17(22)12-8-7-9-13(19)16(12)20-18(21)24-25(2,3)4/h5-11H,1-4H3
InChIKey
YWFIVWOECQCGGL-UHFFFAOYSA-N
Compound name
8-bromo-3-(2-methoxyphenyl)-2-trimethylsilylsulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.01928 183.6
[M+Na]+ 457.00122 196.9
[M-H]- 433.00472 191.7
[M+NH4]+ 452.04582 197.6
[M+K]+ 472.97516 183.7
[M+H-H2O]+ 417.00926 181.8
[M+HCOO]- 479.01020 195.5
[M+CH3COO]- 493.02585 220.9
[M+Na-2H]- 454.98667 188.5
[M]+ 434.01145 208.1
[M]- 434.01255 208.2
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.