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]+ 301.165906 170.1
[M+Na]+ 323.147848 175.1
[M-H]- 299.151354 172.4
[M+NH4]+ 318.192453 181.0
[M+K]+ 339.121788 170.3
[M+H-H2O]+ 283.155890 159.1
[M+HCOO]- 345.156831 185.8
[M+CH3COO]- 359.172481 205.0
[M+Na-2H]- 321.133296 175.3
[M]+ 300.15808142 166.5
[M]- 300.15917858 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.