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 201.6
[M+Na]+ 531.04607 211.3
[M-H]- 507.04957 212.7
[M+NH4]+ 526.09067 210.9
[M+K]+ 547.02001 197.8
[M+H-H2O]+ 491.05411 197.1
[M+HCOO]- 553.05505 215.8
[M+CH3COO]- 567.07070 211.8
[M+Na-2H]- 529.03152 206.0
[M]+ 508.05630 223.9
[M]- 508.05740 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.