CID 1273440

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C25H21N3O5S
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCCO5
InChI
InChI=1S/C25H21N3O5S/c1-31-18-9-7-17(8-10-18)28-24(30)19-4-2-3-5-20(19)27-25(28)34-15-23(29)26-16-6-11-21-22(14-16)33-13-12-32-21/h2-11,14H,12-13,15H2,1H3,(H,26,29)
InChIKey
DQOKRFFQLNVLSB-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.12018 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.12746 209.9
[M+Na]+ 498.10940 226.1
[M+NH4]+ 493.15400 216.5
[M+K]+ 514.08334 216.4
[M-H]- 474.11290 218.9
[M+Na-2H]- 496.09485 217.2
[M]+ 475.11963 215.4
[M]- 475.12073 215.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.