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]+ 364.14043 182.7
[M+Na]+ 386.12237 187.0
[M-H]- 362.12587 190.3
[M+NH4]+ 381.16697 192.0
[M+K]+ 402.09631 177.6
[M+H-H2O]+ 346.13041 176.2
[M+HCOO]- 408.13135 207.3
[M+CH3COO]- 422.14700 212.5
[M+Na-2H]- 384.10782 188.2
[M]+ 363.13260 180.1
[M]- 363.13370 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.