CID 1071176

2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-n,n-diethylacetamide

Structural Information

Molecular Formula
C22H25N3O3S
SMILES
CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCC
InChI
InChI=1S/C22H25N3O3S/c1-4-24(5-2)20(26)15-29-22-23-19-10-8-7-9-18(19)21(27)25(22)16-11-13-17(14-12-16)28-6-3/h7-14H,4-6,15H2,1-3H3
InChIKey
FEKFDEVWGGMJJV-UHFFFAOYSA-N
Compound name
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16165 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16893 197.3
[M+Na]+ 434.15087 211.2
[M+NH4]+ 429.19547 203.8
[M+K]+ 450.12481 201.5
[M-H]- 410.15437 201.4
[M+Na-2H]- 432.13632 204.2
[M]+ 411.16110 201.0
[M]- 411.16220 201.0
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.