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]+ 303.14516 169.5
[M+Na]+ 325.12710 175.1
[M-H]- 301.13060 172.6
[M+NH4]+ 320.17170 179.0
[M+K]+ 341.10104 172.0
[M+H-H2O]+ 285.13514 158.5
[M+HCOO]- 347.13608 184.9
[M+CH3COO]- 361.15173 178.6
[M+Na-2H]- 323.11255 175.7
[M]+ 302.13733 167.6
[M]- 302.13843 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.