CID 63417

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

Structural Information

Molecular Formula
C23H27N3O2
SMILES
CC1=CC=C(C=C1)N2CN(C3=CC=CC=C3C2=O)C(=O)CCN4CCCCC4
InChI
InChI=1S/C23H27N3O2/c1-18-9-11-19(12-10-18)25-17-26(21-8-4-3-7-20(21)23(25)28)22(27)13-16-24-14-5-2-6-15-24/h3-4,7-12H,2,5-6,13-17H2,1H3
InChIKey
SMVVGYSODJGGEP-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-1-(3-piperidin-1-ylpropanoyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.21033 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 195.7
[M+Na]+ 400.19955 199.3
[M-H]- 376.20305 200.1
[M+NH4]+ 395.24415 203.2
[M+K]+ 416.17349 192.8
[M+H-H2O]+ 360.20759 182.7
[M+HCOO]- 422.20853 206.0
[M+CH3COO]- 436.22418 202.1
[M+Na-2H]- 398.18500 195.0
[M]+ 377.20978 190.0
[M]- 377.21088 190.0
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.