CID 6862325

N'-(4-ethoxybenzylidene)-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C19H17N5O4
SMILES
CCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H17N5O4/c1-2-28-16-8-6-13(7-9-16)12-20-23-19(25)18-11-17(21-22-18)14-4-3-5-15(10-14)24(26)27/h3-12H,2H2,1H3,(H,21,22)(H,23,25)/b20-12+
InChIKey
ZOLJRGAWHPXTNO-UDWIEESQSA-N
Compound name
N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.12805 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13533 186.3
[M+Na]+ 402.11727 198.2
[M+NH4]+ 397.16187 191.1
[M+K]+ 418.09121 196.6
[M-H]- 378.12077 191.9
[M+Na-2H]- 400.10272 194.2
[M]+ 379.12750 189.1
[M]- 379.12860 189.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.