CID 6862304

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

Structural Information

Molecular Formula
C17H12FN5O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)F
InChI
InChI=1S/C17H12FN5O3/c18-13-6-4-11(5-7-13)10-19-22-17(24)16-9-15(20-21-16)12-2-1-3-14(8-12)23(25)26/h1-10H,(H,20,21)(H,22,24)/b19-10+
InChIKey
YIZWKMQCMIDPAO-VXLYETTFSA-N
Compound name
N-[(E)-(4-fluorophenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0924 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09968 175.6
[M+Na]+ 376.08162 180.9
[M-H]- 352.08512 182.1
[M+NH4]+ 371.12622 185.2
[M+K]+ 392.05556 171.3
[M+H-H2O]+ 336.08966 168.5
[M+HCOO]- 398.09060 199.8
[M+CH3COO]- 412.10625 209.2
[M+Na-2H]- 374.06707 181.6
[M]+ 353.09185 171.3
[M]- 353.09295 171.3
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.