CID 9635545

302918-57-6

Structural Information

Molecular Formula
C24H19N5O3
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H19N5O3/c1-16(17-10-12-19(13-11-17)18-6-3-2-4-7-18)25-28-24(30)23-15-22(26-27-23)20-8-5-9-21(14-20)29(31)32/h2-15H,1H3,(H,26,27)(H,28,30)/b25-16+
InChIKey
RLAZHYJGPCGRHA-PCLIKHOPSA-N
Compound name
3-(3-nitrophenyl)-N-[(E)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1488 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15608 199.3
[M+Na]+ 448.13802 213.0
[M+NH4]+ 443.18262 204.8
[M+K]+ 464.11196 210.1
[M-H]- 424.14152 207.7
[M+Na-2H]- 446.12347 209.9
[M]+ 425.14825 203.3
[M]- 425.14935 203.3
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.