CID 3053633

3(4h)-quinazolineacetamide, 4-oxo-2-phenyl-

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CC(=O)N
InChI
InChI=1S/C16H13N3O2/c17-14(20)10-19-15(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16(19)21/h1-9H,10H2,(H2,17,20)
InChIKey
STVAALSPFVAZRV-UHFFFAOYSA-N
Compound name
2-(4-oxo-2-phenylquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 163.2
[M+Na]+ 302.08999 172.3
[M-H]- 278.09349 168.1
[M+NH4]+ 297.13459 176.7
[M+K]+ 318.06393 166.8
[M+H-H2O]+ 262.09803 153.6
[M+HCOO]- 324.09897 184.1
[M+CH3COO]- 338.11462 174.5
[M+Na-2H]- 300.07544 169.6
[M]+ 279.10022 163.0
[M]- 279.10132 163.0
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.