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]+ 528.01428 204.0
[M+Na]+ 549.99622 217.1
[M-H]- 525.99972 214.6
[M+NH4]+ 545.04082 214.0
[M+K]+ 565.97016 201.5
[M+H-H2O]+ 510.00426 201.0
[M+HCOO]- 572.00520 212.7
[M+CH3COO]- 586.02085 214.7
[M+Na-2H]- 547.98167 206.5
[M]+ 527.00645 228.9
[M]- 527.00755 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.