CID 3076520

Piperidine, 1-(4-((4-oxo-2-phenyl-3(4h)-quinazolinyl)amino)benzoyl)-

Structural Information

Molecular Formula
C26H24N4O2
SMILES
C1CCN(CC1)C(=O)C2=CC=C(C=C2)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C26H24N4O2/c31-25(29-17-7-2-8-18-29)20-13-15-21(16-14-20)28-30-24(19-9-3-1-4-10-19)27-23-12-6-5-11-22(23)26(30)32/h1,3-6,9-16,28H,2,7-8,17-18H2
InChIKey
TZQXBGQWGWXEEK-UHFFFAOYSA-N
Compound name
2-phenyl-3-[4-(piperidine-1-carbonyl)anilino]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1899 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19718 203.7
[M+Na]+ 447.17912 208.2
[M-H]- 423.18262 211.7
[M+NH4]+ 442.22372 208.3
[M+K]+ 463.15306 200.1
[M+H-H2O]+ 407.18716 189.1
[M+HCOO]- 469.18810 217.8
[M+CH3COO]- 483.20375 210.1
[M+Na-2H]- 445.16457 206.9
[M]+ 424.18935 198.4
[M]- 424.19045 198.4
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.