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]+ 509.064126 201.6
[M+Na]+ 531.046068 211.3
[M-H]- 507.049574 212.7
[M+NH4]+ 526.090673 210.9
[M+K]+ 547.020008 197.8
[M+H-H2O]+ 491.054110 197.1
[M+HCOO]- 553.055051 215.8
[M+CH3COO]- 567.070701 211.8
[M+Na-2H]- 529.031516 206.0
[M]+ 508.05630142 223.9
[M]- 508.05739858 223.9
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.