CID 1887554

N-(4-bromo-2-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C23H17BrClN3O2S
SMILES
CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H17BrClN3O2S/c1-14-12-15(24)6-11-19(14)26-21(29)13-31-23-27-20-5-3-2-4-18(20)22(30)28(23)17-9-7-16(25)8-10-17/h2-12H,13H2,1H3,(H,26,29)
InChIKey
BUEBATCGWNYCFE-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-methylphenyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
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 199.3
[M+Na]+ 535.98055 212.1
[M-H]- 511.98405 209.8
[M+NH4]+ 531.02515 209.6
[M+K]+ 551.95449 196.6
[M+H-H2O]+ 495.98859 196.5
[M+HCOO]- 557.98953 208.3
[M+CH3COO]- 572.00518 210.2
[M+Na-2H]- 533.96600 203.0
[M]+ 512.99078 223.5
[M]- 512.99188 223.5
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.