CID 9570755

2-methylphthalazone 4-nitrobenzylidenehydrazone

Structural Information

Molecular Formula
C16H13N5O2
SMILES
CN1/C(=N\N=C/C2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=CC=C3C=N1
InChI
InChI=1S/C16H13N5O2/c1-20-16(15-5-3-2-4-13(15)11-18-20)19-17-10-12-6-8-14(9-7-12)21(22)23/h2-11H,1H3/b17-10-,19-16-
InChIKey
XCWHKEDATAAJJT-APKIBMKDSA-N
Compound name
(Z)-2-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]phthalazin-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.10693 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11421 166.5
[M+Na]+ 330.09615 182.6
[M+NH4]+ 325.14075 174.3
[M+K]+ 346.07009 176.6
[M-H]- 306.09965 173.6
[M+Na-2H]- 328.08160 176.7
[M]+ 307.10638 170.7
[M]- 307.10748 170.7
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.