CID 3053886

70540-72-6

Structural Information

Molecular Formula
C25H29N3O2
SMILES
CC(C)CC(C(=O)N1CCCCC1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C25H29N3O2/c1-18(2)17-22(25(30)27-15-9-4-10-16-27)28-23(19-11-5-3-6-12-19)26-21-14-8-7-13-20(21)24(28)29/h3,5-8,11-14,18,22H,4,9-10,15-17H2,1-2H3
InChIKey
VQNORDONCKALPD-UHFFFAOYSA-N
Compound name
3-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.22598 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.233256 200.5
[M+Na]+ 426.215198 203.7
[M-H]- 402.218704 205.2
[M+NH4]+ 421.259803 206.7
[M+K]+ 442.189138 197.4
[M+H-H2O]+ 386.223240 187.6
[M+HCOO]- 448.224181 211.1
[M+CH3COO]- 462.239831 206.7
[M+Na-2H]- 424.200646 199.7
[M]+ 403.22543142 196.8
[M]- 403.22652858 196.8
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.