CID 3053773

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

Structural Information

Molecular Formula
C16H20N4O2
SMILES
C1CCN(CC1)CC(=O)NCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H20N4O2/c21-15(10-19-8-4-1-5-9-19)18-12-20-11-17-14-7-3-2-6-13(14)16(20)22/h2-3,6-7,11H,1,4-5,8-10,12H2,(H,18,21)
InChIKey
TXPKXWHXIHATBG-UHFFFAOYSA-N
Compound name
N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.15863 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16591 170.1
[M+Na]+ 323.14785 175.1
[M-H]- 299.15135 172.4
[M+NH4]+ 318.19245 181.0
[M+K]+ 339.12179 170.3
[M+H-H2O]+ 283.15589 159.1
[M+HCOO]- 345.15683 185.8
[M+CH3COO]- 359.17248 205.0
[M+Na-2H]- 321.13330 175.3
[M]+ 300.15808 166.5
[M]- 300.15918 166.5
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.