CID 2385994

16015-49-9

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O
InChI
InChI=1S/C16H12N2O3/c19-15-13-9-5-4-8-12(13)14(16(20)21)17-18(15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21)
InChIKey
ZXWKUKKFDVBJOQ-UHFFFAOYSA-N
Compound name
3-benzyl-4-oxophthalazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

280.08478 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 162.3
[M+Na]+ 303.07400 178.3
[M+NH4]+ 298.11860 169.5
[M+K]+ 319.04794 171.1
[M-H]- 279.07750 165.4
[M+Na-2H]- 301.05945 170.9
[M]+ 280.08423 165.5
[M]- 280.08533 165.5
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