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]+ 299.08488 165.8
[M+Na]+ 321.06682 176.9
[M-H]- 297.07032 170.2
[M+NH4]+ 316.11142 179.6
[M+K]+ 337.04076 169.5
[M+H-H2O]+ 281.07486 157.4
[M+HCOO]- 343.07580 180.9
[M+CH3COO]- 357.09145 177.1
[M+Na-2H]- 319.05227 169.9
[M]+ 298.07705 168.7
[M]- 298.07815 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.