CID 457549

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

Structural Information

Molecular Formula
C18H19IN2O2SSi
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=C(C(=CC=C3)I)N=C2S[Si](C)(C)C
InChI
InChI=1S/C18H19IN2O2SSi/c1-23-13-10-8-12(9-11-13)21-17(22)14-6-5-7-15(19)16(14)20-18(21)24-25(2,3)4/h5-11H,1-4H3
InChIKey
MWIFQPAZBDVCJX-UHFFFAOYSA-N
Compound name
8-iodo-3-(4-methoxyphenyl)-2-trimethylsilylsulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

481.9981 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.00538 191.3
[M+Na]+ 504.98732 194.4
[M-H]- 480.99082 189.2
[M+NH4]+ 500.03192 198.7
[M+K]+ 520.96126 194.4
[M+H-H2O]+ 464.99536 178.6
[M+HCOO]- 526.99630 199.9
[M+CH3COO]- 541.01195 222.4
[M+Na-2H]- 502.97277 182.8
[M]+ 481.99755 194.3
[M]- 481.99865 194.3
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.