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 205.6
[M+Na]+ 513.08965 211.7
[M+NH4]+ 508.13425 208.8
[M+K]+ 529.06359 209.1
[M-H]- 489.09315 210.7
[M+Na-2H]- 511.07510 211.7
[M]+ 490.09988 206.8
[M]- 490.10098 206.8
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.