CID 3053771

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

Structural Information

Molecular Formula
C15H18N4O2
SMILES
C1CCN(C1)CC(=O)NCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H18N4O2/c20-14(9-18-7-3-4-8-18)17-11-19-10-16-13-6-2-1-5-12(13)15(19)21/h1-2,5-6,10H,3-4,7-9,11H2,(H,17,20)
InChIKey
AWURETCGVCNSLK-UHFFFAOYSA-N
Compound name
N-[(4-oxoquinazolin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.14297 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15025 165.3
[M+Na]+ 309.13219 171.7
[M-H]- 285.13569 168.5
[M+NH4]+ 304.17679 178.9
[M+K]+ 325.10613 167.3
[M+H-H2O]+ 269.14023 155.3
[M+HCOO]- 331.14117 183.8
[M+CH3COO]- 345.15682 175.4
[M+Na-2H]- 307.11764 169.1
[M]+ 286.14242 163.7
[M]- 286.14352 163.7
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.