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]+ 425.197176 203.7
[M+Na]+ 447.179118 208.2
[M-H]- 423.182624 211.7
[M+NH4]+ 442.223723 208.3
[M+K]+ 463.153058 200.1
[M+H-H2O]+ 407.187160 189.1
[M+HCOO]- 469.188101 217.8
[M+CH3COO]- 483.203751 210.1
[M+Na-2H]- 445.164566 206.9
[M]+ 424.18935142 198.4
[M]- 424.19044858 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.