CID 2437237

16015-59-1

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N
InChI
InChI=1S/C16H13N3O2/c17-15(20)14-12-8-4-5-9-13(12)16(21)19(18-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,20)
InChIKey
CNLKBXSFYXUQQH-UHFFFAOYSA-N
Compound name
3-benzyl-4-oxophthalazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
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 162.7
[M+Na]+ 302.08999 178.1
[M+NH4]+ 297.13459 170.2
[M+K]+ 318.06393 170.7
[M-H]- 278.09349 166.9
[M+Na-2H]- 300.07544 171.5
[M]+ 279.10022 166.1
[M]- 279.10132 166.1
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.