CID 3076524

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

Structural Information

Molecular Formula
C25H24N4O2
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C25H24N4O2/c1-3-28(4-2)24(30)19-14-16-20(17-15-19)27-29-23(18-10-6-5-7-11-18)26-22-13-9-8-12-21(22)25(29)31/h5-17,27H,3-4H2,1-2H3
InChIKey
SIMREYBZFLKABW-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[(4-oxo-2-phenylquinazolin-3-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1899 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.19718 201.5
[M+Na]+ 435.17912 207.6
[M-H]- 411.18262 210.4
[M+NH4]+ 430.22372 209.4
[M+K]+ 451.15306 201.6
[M+H-H2O]+ 395.18716 188.7
[M+HCOO]- 457.18810 222.2
[M+CH3COO]- 471.20375 210.0
[M+Na-2H]- 433.16457 205.8
[M]+ 412.18935 203.2
[M]- 412.19045 203.2
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.