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 168.3
[M+Na]+ 346.09106 174.6
[M-H]- 322.09456 173.5
[M+NH4]+ 341.13566 178.7
[M+K]+ 362.06500 164.9
[M+H-H2O]+ 306.09910 162.3
[M+HCOO]- 368.10004 192.5
[M+CH3COO]- 382.11569 205.7
[M+Na-2H]- 344.07651 179.6
[M]+ 323.10129 166.0
[M]- 323.10239 166.0
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.