CID 63415

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

Structural Information

Molecular Formula
C22H25N3O2
SMILES
C1CCN(CC1)CCC(=O)N2CN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O2/c26-21(13-16-23-14-7-2-8-15-23)25-17-24(18-9-3-1-4-10-18)22(27)19-11-5-6-12-20(19)25/h1,3-6,9-12H,2,7-8,13-17H2
InChIKey
UXJMTTQDZJKACJ-UHFFFAOYSA-N
Compound name
3-phenyl-1-(3-piperidin-1-ylpropanoyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 190.6
[M+Na]+ 386.18389 193.8
[M-H]- 362.18739 194.8
[M+NH4]+ 381.22849 198.4
[M+K]+ 402.15783 187.4
[M+H-H2O]+ 346.19193 177.6
[M+HCOO]- 408.19287 201.3
[M+CH3COO]- 422.20852 197.1
[M+Na-2H]- 384.16934 191.2
[M]+ 363.19412 184.2
[M]- 363.19522 184.2
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.