CID 9570753

Brn 0889300

Structural Information

Molecular Formula
C16H14N4O
SMILES
C1=CC=C(C=C1)/C=N/NCC2=NNC(=O)C3=CC=CC=C32
InChI
InChI=1S/C16H14N4O/c21-16-14-9-5-4-8-13(14)15(19-20-16)11-18-17-10-12-6-2-1-3-7-12/h1-10,18H,11H2,(H,20,21)/b17-10+
InChIKey
JUYRXNFNRCLSSB-LICLKQGHSA-N
Compound name
4-[[(2E)-2-benzylidenehydrazinyl]methyl]-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.11676 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12404 163.3
[M+Na]+ 301.10598 178.2
[M+NH4]+ 296.15058 171.0
[M+K]+ 317.07992 169.4
[M-H]- 277.10948 168.4
[M+Na-2H]- 299.09143 173.2
[M]+ 278.11621 166.8
[M]- 278.11731 166.8
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

No patent data available for this compound.