CID 63273

73283-38-2

Structural Information

Molecular Formula
C16H13N3O2
SMILES
CN1C(=NC2=CC=CC=C2C1=O)CC(=O)C3=CN=CC=C3
InChI
InChI=1S/C16H13N3O2/c1-19-15(9-14(20)11-5-4-8-17-10-11)18-13-7-3-2-6-12(13)16(19)21/h2-8,10H,9H2,1H3
InChIKey
CTGBEQHKJDQHST-UHFFFAOYSA-N
Compound name
3-methyl-2-(2-oxo-2-pyridin-3-ylethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.10077 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 164.0
[M+Na]+ 302.08999 174.0
[M-H]- 278.09349 167.9
[M+NH4]+ 297.13459 176.6
[M+K]+ 318.06393 168.5
[M+H-H2O]+ 262.09803 153.7
[M+HCOO]- 324.09897 183.0
[M+CH3COO]- 338.11462 175.3
[M+Na-2H]- 300.07544 170.8
[M]+ 279.10022 165.8
[M]- 279.10132 165.8
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

patents stripe