CID 1106977

N-(4-oxo-2-phenyl-4h-quinazolin-3-yl)-acetamide

Structural Information

Molecular Formula
C16H13N3O2
SMILES
CC(=O)NN1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13N3O2/c1-11(20)18-19-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16(19)21/h2-10H,1H3,(H,18,20)
InChIKey
KRLCMYVTLQRSLL-UHFFFAOYSA-N
Compound name
N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

279.10077 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 162.8
[M+Na]+ 302.08999 172.0
[M-H]- 278.09349 168.2
[M+NH4]+ 297.13459 176.6
[M+K]+ 318.06393 166.8
[M+H-H2O]+ 262.09803 153.1
[M+HCOO]- 324.09897 184.3
[M+CH3COO]- 338.11462 174.4
[M+Na-2H]- 300.07544 170.2
[M]+ 279.10022 163.4
[M]- 279.10132 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.