CID 63409

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

Structural Information

Molecular Formula
C21H23N3O2
SMILES
C1CCN(CC1)CC(=O)N2CN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O2/c25-20(15-22-13-7-2-8-14-22)24-16-23(17-9-3-1-4-10-17)21(26)18-11-5-6-12-19(18)24/h1,3-6,9-12H,2,7-8,13-16H2
InChIKey
ZFJFQWYRRDAJPY-UHFFFAOYSA-N
Compound name
3-phenyl-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 186.3
[M+Na]+ 372.16824 189.9
[M-H]- 348.17174 190.7
[M+NH4]+ 367.21284 194.7
[M+K]+ 388.14218 183.7
[M+H-H2O]+ 332.17628 173.5
[M+HCOO]- 394.17722 197.4
[M+CH3COO]- 408.19287 193.3
[M+Na-2H]- 370.15369 187.5
[M]+ 349.17847 179.6
[M]- 349.17957 179.6
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.