CID 946667

4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzamide

Structural Information

Molecular Formula
C16H13N3O2
SMILES
CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)N
InChI
InChI=1S/C16H13N3O2/c1-19-16(21)13-5-3-2-4-12(13)14(18-19)10-6-8-11(9-7-10)15(17)20/h2-9H,1H3,(H2,17,20)
InChIKey
LOHKEIFGMCWOKE-UHFFFAOYSA-N
Compound name
4-(3-methyl-4-oxophthalazin-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

279.10077 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 163.7
[M+Na]+ 302.08999 173.8
[M-H]- 278.09349 169.1
[M+NH4]+ 297.13459 177.5
[M+K]+ 318.06393 168.4
[M+H-H2O]+ 262.09803 154.3
[M+HCOO]- 324.09897 184.6
[M+CH3COO]- 338.11462 175.4
[M+Na-2H]- 300.07544 169.4
[M]+ 279.10022 164.0
[M]- 279.10132 164.0
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.