CID 3053769

4-morpholineacetamide, n-(3,4-dihydro-4-oxo-3-quinazolinylmethyl)-, trihydrochloride

Structural Information

Molecular Formula
C15H18N4O3
SMILES
C1COCCN1CC(=O)NCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H18N4O3/c20-14(9-18-5-7-22-8-6-18)17-11-19-10-16-13-4-2-1-3-12(13)15(19)21/h1-4,10H,5-9,11H2,(H,17,20)
InChIKey
OPPJMWPUGSBRCA-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.13788 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.145156 169.5
[M+Na]+ 325.127098 175.1
[M-H]- 301.130604 172.6
[M+NH4]+ 320.171703 179.0
[M+K]+ 341.101038 172.0
[M+H-H2O]+ 285.135140 158.5
[M+HCOO]- 347.136081 184.9
[M+CH3COO]- 361.151731 178.6
[M+Na-2H]- 323.112546 175.7
[M]+ 302.13733142 167.6
[M]- 302.13842858 167.6
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.