CID 1889000

2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-n-(2-chloro-4,6-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C24H19BrClN3O2S
SMILES
CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br)C
InChI
InChI=1S/C24H19BrClN3O2S/c1-14-11-15(2)22(19(26)12-14)28-21(30)13-32-24-27-20-6-4-3-5-18(20)23(31)29(24)17-9-7-16(25)8-10-17/h3-12H,13H2,1-2H3,(H,28,30)
InChIKey
LYLYRQBHAFXGPJ-UHFFFAOYSA-N
Compound name
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-chloro-4,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.007 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.014276 204.0
[M+Na]+ 549.996218 217.1
[M-H]- 525.999724 214.6
[M+NH4]+ 545.040823 214.0
[M+K]+ 565.970158 201.5
[M+H-H2O]+ 510.004260 201.0
[M+HCOO]- 572.005201 212.7
[M+CH3COO]- 586.020851 214.7
[M+Na-2H]- 547.981666 206.5
[M]+ 527.00645142 228.9
[M]- 527.00754858 228.9
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.