CID 1071176

477318-83-5

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 198.6
[M+Na]+ 434.15087 205.8
[M-H]- 410.15437 204.5
[M+NH4]+ 429.19547 208.3
[M+K]+ 450.12481 200.7
[M+H-H2O]+ 394.15891 188.1
[M+HCOO]- 456.15985 213.6
[M+CH3COO]- 470.17550 230.0
[M+Na-2H]- 432.13632 199.6
[M]+ 411.16110 206.5
[M]- 411.16220 206.5
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.