CID 866360

3-[(2-methoxyphenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C16H14N2O2S
SMILES
COC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3NC2=S
InChI
InChI=1S/C16H14N2O2S/c1-20-14-9-5-2-6-11(14)10-18-15(19)12-7-3-4-8-13(12)17-16(18)21/h2-9H,10H2,1H3,(H,17,21)
InChIKey
VACPJKGZPPGKRO-UHFFFAOYSA-N
Compound name
3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

298.0776 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.084876 165.8
[M+Na]+ 321.066818 176.9
[M-H]- 297.070324 170.2
[M+NH4]+ 316.111423 179.6
[M+K]+ 337.040758 169.5
[M+H-H2O]+ 281.074860 157.4
[M+HCOO]- 343.075801 180.9
[M+CH3COO]- 357.091451 177.1
[M+Na-2H]- 319.052266 169.9
[M]+ 298.07705142 168.7
[M]- 298.07814858 168.7
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.