CID 6862335

3-(3-nitrophenyl)-n'-(3,4,5-trimethoxybenzylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C20H19N5O6
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H19N5O6/c1-29-17-7-12(8-18(30-2)19(17)31-3)11-21-24-20(26)16-10-15(22-23-16)13-5-4-6-14(9-13)25(27)28/h4-11H,1-3H3,(H,22,23)(H,24,26)/b21-11+
InChIKey
BGPCVARXJOQAOC-SRZZPIQSSA-N
Compound name
3-(3-nitrophenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.13354 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.14082 197.3
[M+Na]+ 448.12276 208.6
[M+NH4]+ 443.16736 200.7
[M+K]+ 464.09670 208.3
[M-H]- 424.12626 201.9
[M+Na-2H]- 446.10821 203.4
[M]+ 425.13299 199.6
[M]- 425.13409 199.6
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.