CID 6862328

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

Structural Information

Molecular Formula
C19H17N5O3
SMILES
CCC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H17N5O3/c1-2-13-6-8-14(9-7-13)12-20-23-19(25)18-11-17(21-22-18)15-4-3-5-16(10-15)24(26)27/h3-12H,2H2,1H3,(H,21,22)(H,23,25)/b20-12+
InChIKey
WELIOCHOKHAZSR-UDWIEESQSA-N
Compound name
N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

363.13315 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.140426 182.7
[M+Na]+ 386.122368 187.0
[M-H]- 362.125874 190.3
[M+NH4]+ 381.166973 192.0
[M+K]+ 402.096308 177.6
[M+H-H2O]+ 346.130410 176.2
[M+HCOO]- 408.131351 207.3
[M+CH3COO]- 422.147001 212.5
[M+Na-2H]- 384.107816 188.2
[M]+ 363.13260142 180.1
[M]- 363.13369858 180.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.