CID 3053777

1-piperidineacetamide, n-(3,4-dihydro-4-oxo-3-quinazolinylmethyl)-4-phenyl-, trihydrochloride

Structural Information

Molecular Formula
C22H24N4O2
SMILES
C1CN(CCC1C2=CC=CC=C2)CC(=O)NCN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C22H24N4O2/c27-21(14-25-12-10-18(11-13-25)17-6-2-1-3-7-17)24-16-26-15-23-20-9-5-4-8-19(20)22(26)28/h1-9,15,18H,10-14,16H2,(H,24,27)
InChIKey
QQHRCDVEUHJEAI-UHFFFAOYSA-N
Compound name
N-[(4-oxoquinazolin-3-yl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1899 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.197176 191.1
[M+Na]+ 399.179118 195.5
[M-H]- 375.182624 196.2
[M+NH4]+ 394.223723 198.3
[M+K]+ 415.153058 188.7
[M+H-H2O]+ 359.187160 178.2
[M+HCOO]- 421.188101 205.8
[M+CH3COO]- 435.203751 198.3
[M+Na-2H]- 397.164566 194.8
[M]+ 376.18935142 187.0
[M]- 376.19044858 187.0
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.