CID 742756

Brn 0384912

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1=CC=C(C=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H13N3O2/c20-15(18-12-6-2-1-3-7-12)10-19-11-17-14-9-5-4-8-13(14)16(19)21/h1-9,11H,10H2,(H,18,20)
InChIKey
PRTMCDUZAVNQLB-UHFFFAOYSA-N
Compound name
2-(4-oxoquinazolin-3-yl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

7
Patents

279.10077 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 162.2
[M+Na]+ 302.08999 170.4
[M-H]- 278.09349 167.2
[M+NH4]+ 297.13459 175.7
[M+K]+ 318.06393 165.2
[M+H-H2O]+ 262.09803 152.3
[M+HCOO]- 324.09897 183.7
[M+CH3COO]- 338.11462 173.5
[M+Na-2H]- 300.07544 170.4
[M]+ 279.10022 162.4
[M]- 279.10132 162.4
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

patents stripe