CID 3076528

Benzamide, 4-((7-bromo-4-oxo-2-phenyl-3(4h)-quinazolinyl)amino)-n,n-diethyl-

Structural Information

Molecular Formula
C25H23BrN4O2
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)NN2C(=NC3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C25H23BrN4O2/c1-3-29(4-2)24(31)18-10-13-20(14-11-18)28-30-23(17-8-6-5-7-9-17)27-22-16-19(26)12-15-21(22)25(30)32/h5-16,28H,3-4H2,1-2H3
InChIKey
XVZZRCGBUQKUQF-UHFFFAOYSA-N
Compound name
4-[(7-bromo-4-oxo-2-phenylquinazolin-3-yl)amino]-N,N-diethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.10043 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.10771 209.6
[M+Na]+ 513.08965 218.1
[M-H]- 489.09315 220.4
[M+NH4]+ 508.13425 218.5
[M+K]+ 529.06359 205.3
[M+H-H2O]+ 473.09769 203.6
[M+HCOO]- 535.09863 227.6
[M+CH3COO]- 549.11428 219.2
[M+Na-2H]- 511.07510 213.6
[M]+ 490.09988 229.7
[M]- 490.10098 229.7
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.