CID 1886246

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

Structural Information

Molecular Formula
C22H14BrCl2N3O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br
InChI
InChI=1S/C22H14BrCl2N3O2S/c23-13-5-8-15(9-6-13)28-21(30)16-3-1-2-4-19(16)27-22(28)31-12-20(29)26-14-7-10-17(24)18(25)11-14/h1-11H,12H2,(H,26,29)
InChIKey
RQHJPQUSPVHGEW-UHFFFAOYSA-N
Compound name
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.9367 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.94398 196.9
[M+Na]+ 555.92592 210.6
[M-H]- 531.92942 207.0
[M+NH4]+ 550.97052 207.1
[M+K]+ 571.89986 194.9
[M+H-H2O]+ 515.93396 194.9
[M+HCOO]- 577.93490 201.7
[M+CH3COO]- 591.95055 207.8
[M+Na-2H]- 553.91137 200.8
[M]+ 532.93615 222.0
[M]- 532.93725 222.0
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.