CID 1890341

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

Structural Information

Molecular Formula
C23H17BrClN3O2S
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H17BrClN3O2S/c1-14-12-16(25)8-11-19(14)26-21(29)13-31-23-27-20-5-3-2-4-18(20)22(30)28(23)17-9-6-15(24)7-10-17/h2-12H,13H2,1H3,(H,26,29)
InChIKey
OWQVIGYBAUTFFP-UHFFFAOYSA-N
Compound name
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.99133 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.99861 196.9
[M+Na]+ 535.98055 205.2
[M+NH4]+ 531.02515 201.4
[M+K]+ 551.95449 200.2
[M-H]- 511.98405 202.0
[M+Na-2H]- 533.96600 203.8
[M]+ 512.99078 199.3
[M]- 512.99188 199.3
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.