CID 1285035

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

Structural Information

Molecular Formula
C24H21BrN4O2S
SMILES
CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br
InChI
InChI=1S/C24H21BrN4O2S/c1-28(2)18-13-9-17(10-14-18)26-22(30)15-32-24-27-21-6-4-3-5-20(21)23(31)29(24)19-11-7-16(25)8-12-19/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey
KDYPIGJTVIJGAO-UHFFFAOYSA-N
Compound name
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.05685 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.06413 194.5
[M+Na]+ 531.04607 200.5
[M+NH4]+ 526.09067 198.3
[M+K]+ 547.02001 197.1
[M-H]- 507.04957 199.8
[M+Na-2H]- 529.03152 201.6
[M]+ 508.05630 196.3
[M]- 508.05740 196.3
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.