CID 9570754

Brn 0897185

Structural Information

Molecular Formula
C16H13N5O3
SMILES
C1=CC=C2C(=C1)C(=NNC2=O)CN/N=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H13N5O3/c22-16-14-4-2-1-3-13(14)15(19-20-16)10-18-17-9-11-5-7-12(8-6-11)21(23)24/h1-9,18H,10H2,(H,20,22)/b17-9+
InChIKey
HEFBZOOIGQUUHF-RQZCQDPDSA-N
Compound name
4-[[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]methyl]-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.10184 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10912 169.5
[M+Na]+ 346.09106 184.0
[M+NH4]+ 341.13566 175.9
[M+K]+ 362.06500 179.1
[M-H]- 322.09456 175.1
[M+Na-2H]- 344.07651 178.0
[M]+ 323.10129 172.8
[M]- 323.10239 172.8
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.