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]+ 460.168926 212.4
[M+Na]+ 482.150868 220.5
[M-H]- 458.154374 220.3
[M+NH4]+ 477.195473 219.2
[M+K]+ 498.124808 212.9
[M+H-H2O]+ 442.158910 200.7
[M+HCOO]- 504.159851 226.6
[M+CH3COO]- 518.175501 220.3
[M+Na-2H]- 480.136316 213.0
[M]+ 459.16110142 218.2
[M]- 459.16219858 218.2
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.