CID 1272986

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

Structural Information

Molecular Formula
C26H25N3O3S
SMILES
CCC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OCC
InChI
InChI=1S/C26H25N3O3S/c1-3-18-9-5-7-11-22(18)27-24(30)17-33-26-28-23-12-8-6-10-21(23)25(31)29(26)19-13-15-20(16-14-19)32-4-2/h5-16H,3-4,17H2,1-2H3,(H,27,30)
InChIKey
LQILZMVLBRRDJM-UHFFFAOYSA-N
Compound name
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.16165 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.16893 210.3
[M+Na]+ 482.15087 226.5
[M+NH4]+ 477.19547 217.1
[M+K]+ 498.12481 215.0
[M-H]- 458.15437 216.9
[M+Na-2H]- 480.13632 219.8
[M]+ 459.16110 215.1
[M]- 459.16220 215.1
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.