CID 6862322

3-(3-nitrophenyl)-n'-(2,4,5-trimethoxybenzylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C20H19N5O6
SMILES
COC1=CC(=C(C=C1/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-])OC)OC
InChI
InChI=1S/C20H19N5O6/c1-29-17-10-19(31-3)18(30-2)8-13(17)11-21-24-20(26)16-9-15(22-23-16)12-5-4-6-14(7-12)25(27)28/h4-11H,1-3H3,(H,22,23)(H,24,26)/b21-11+
InChIKey
UIGJCMAVTHOJGK-SRZZPIQSSA-N
Compound name
3-(3-nitrophenyl)-N-[(E)-(2,4,5-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 195.8
[M+Na]+ 448.12276 200.2
[M-H]- 424.12626 203.9
[M+NH4]+ 443.16736 202.6
[M+K]+ 464.09670 192.9
[M+H-H2O]+ 408.13080 188.9
[M+HCOO]- 470.13174 220.2
[M+CH3COO]- 484.14739 224.5
[M+Na-2H]- 446.10821 200.2
[M]+ 425.13299 198.0
[M]- 425.13409 198.0
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.