CID 63411

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

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CC1=CC=C(C=C1)N2CN(C3=CC=CC=C3C2=O)C(=O)CN4CCCCC4
InChI
InChI=1S/C22H25N3O2/c1-17-9-11-18(12-10-17)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
ITXXAFRIOQFRKR-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 190.5
[M+Na]+ 386.18389 204.7
[M+NH4]+ 381.22849 197.6
[M+K]+ 402.15783 196.3
[M-H]- 362.18739 195.4
[M+Na-2H]- 384.16934 197.3
[M]+ 363.19412 193.8
[M]- 363.19522 193.8
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.