CID 63413

4(1h)-quinazolinone, 2,3-dihydro-3-(p-methoxyphenyl)-1-(piperidinoacetyl)-, hydrochloride

Structural Information

Molecular Formula
C22H25N3O3
SMILES
COC1=CC=C(C=C1)N2CN(C3=CC=CC=C3C2=O)C(=O)CN4CCCCC4
InChI
InChI=1S/C22H25N3O3/c1-28-18-11-9-17(10-12-18)24-16-25(20-8-4-3-7-19(20)22(24)27)21(26)15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKey
KHNGLPHWGFDJLF-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1896 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 194.0
[M+Na]+ 402.17882 197.9
[M-H]- 378.18232 198.6
[M+NH4]+ 397.22342 201.3
[M+K]+ 418.15276 192.3
[M+H-H2O]+ 362.18686 181.1
[M+HCOO]- 424.18780 204.9
[M+CH3COO]- 438.20345 200.7
[M+Na-2H]- 400.16427 194.0
[M]+ 379.18905 189.4
[M]- 379.19015 189.4
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.