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 167.6
[M+Na]+ 330.09615 175.0
[M-H]- 306.09965 175.3
[M+NH4]+ 325.14075 180.2
[M+K]+ 346.07009 166.3
[M+H-H2O]+ 290.10419 161.0
[M+HCOO]- 352.10513 194.4
[M+CH3COO]- 366.12078 207.9
[M+Na-2H]- 328.08160 179.1
[M]+ 307.10638 167.4
[M]- 307.10748 167.4
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.