CID 9570775

2-methyl-4-chlorophthalazone 4-nitrobenzylidenehydrazone

Structural Information

Molecular Formula
C16H12ClN5O2
SMILES
CN1/C(=N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=CC=C3C(=N1)Cl
InChI
InChI=1S/C16H12ClN5O2/c1-21-16(14-5-3-2-4-13(14)15(17)20-21)19-18-10-11-6-8-12(9-7-11)22(23)24/h2-10H,1H3/b18-10+,19-16+
InChIKey
ACIQABFXCQAPCD-MXVZNEBHSA-N
Compound name
(E)-4-chloro-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]phthalazin-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.06796 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07524 177.0
[M+Na]+ 364.05718 185.6
[M-H]- 340.06068 184.4
[M+NH4]+ 359.10178 189.2
[M+K]+ 380.03112 175.7
[M+H-H2O]+ 324.06522 171.1
[M+HCOO]- 386.06616 199.0
[M+CH3COO]- 400.08181 212.7
[M+Na-2H]- 362.04263 186.8
[M]+ 341.06741 179.4
[M]- 341.06851 179.4
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.