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]+ 426.156076 197.7
[M+Na]+ 448.138018 200.1
[M-H]- 424.141524 207.9
[M+NH4]+ 443.182623 203.4
[M+K]+ 464.111958 190.0
[M+H-H2O]+ 408.146060 189.8
[M+HCOO]- 470.147001 220.4
[M+CH3COO]- 484.162651 224.3
[M+Na-2H]- 446.123466 202.1
[M]+ 425.14825142 193.5
[M]- 425.14934858 193.5
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.