CID 3053886

Brn 0857413

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]+ 404.23326 200.5
[M+Na]+ 426.21520 203.7
[M-H]- 402.21870 205.2
[M+NH4]+ 421.25980 206.7
[M+K]+ 442.18914 197.4
[M+H-H2O]+ 386.22324 187.6
[M+HCOO]- 448.22418 211.1
[M+CH3COO]- 462.23983 206.7
[M+Na-2H]- 424.20065 199.7
[M]+ 403.22543 196.8
[M]- 403.22653 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.