CID 1886036

N-(2-ethyl-6-methylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C26H25N3O3S
SMILES
CCC1=CC=CC(=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C26H25N3O3S/c1-4-18-9-7-8-17(2)24(18)28-23(30)16-33-26-27-22-11-6-5-10-21(22)25(31)29(26)19-12-14-20(32-3)15-13-19/h5-15H,4,16H2,1-3H3,(H,28,30)
InChIKey
PEWWKXMOYIGNDJ-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
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 211.2
[M+Na]+ 482.15087 227.7
[M+NH4]+ 477.19547 217.9
[M+K]+ 498.12481 216.4
[M-H]- 458.15437 217.9
[M+Na-2H]- 480.13632 220.4
[M]+ 459.16110 216.1
[M]- 459.16220 216.1
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.