CID 457548

8-iodo-3-(p-tolyl)-2-trimethylsilylsulfanyl-quinazolin-4-one

Structural Information

Molecular Formula
C18H19IN2OSSi
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=C(C(=CC=C3)I)N=C2S[Si](C)(C)C
InChI
InChI=1S/C18H19IN2OSSi/c1-12-8-10-13(11-9-12)21-17(22)14-6-5-7-15(19)16(14)20-18(21)23-24(2,3)4/h5-11H,1-4H3
InChIKey
IGBDEWPXYGSVDU-UHFFFAOYSA-N
Compound name
8-iodo-3-(4-methylphenyl)-2-trimethylsilylsulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

466.0032 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.01048 186.2
[M+Na]+ 488.99242 189.7
[M-H]- 464.99592 184.2
[M+NH4]+ 484.03702 194.5
[M+K]+ 504.96636 189.1
[M+H-H2O]+ 449.00046 173.8
[M+HCOO]- 511.00140 194.8
[M+CH3COO]- 525.01705 220.5
[M+Na-2H]- 486.97787 177.7
[M]+ 466.00265 188.1
[M]- 466.00375 188.1
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.