CID 369070

Nsc640627

Structural Information

Molecular Formula
C23H15N5O4
SMILES
C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4C(=NNC4=O)C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C23H15N5O4/c29-22-21(20(24-25-22)15-10-12-16(13-11-15)28(31)32)27-23(30)18-9-5-4-8-17(18)19(26-27)14-6-2-1-3-7-14/h1-13,21H,(H,25,29)
InChIKey
XUWPFLFLMRZOLL-UHFFFAOYSA-N
Compound name
2-[3-(4-nitrophenyl)-5-oxo-1,4-dihydropyrazol-4-yl]-4-phenylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1124 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.11968 199.6
[M+Na]+ 448.10162 206.5
[M-H]- 424.10512 207.8
[M+NH4]+ 443.14622 203.8
[M+K]+ 464.07556 194.3
[M+H-H2O]+ 408.10966 190.7
[M+HCOO]- 470.11060 216.2
[M+CH3COO]- 484.12625 219.0
[M+Na-2H]- 446.08707 204.4
[M]+ 425.11185 196.2
[M]- 425.11295 196.2
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.