CID 9669901

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

Structural Information

Molecular Formula
C17H13N5O3
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H13N5O3/c23-17(21-18-11-12-5-2-1-3-6-12)16-10-15(19-20-16)13-7-4-8-14(9-13)22(24)25/h1-11H,(H,19,20)(H,21,23)/b18-11+
InChIKey
NHQZZVPHQWIBHM-WOJGMQOQSA-N
Compound name
N-[(E)-benzylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.10184 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.10912 172.7
[M+Na]+ 358.09106 177.0
[M-H]- 334.09456 180.2
[M+NH4]+ 353.13566 182.9
[M+K]+ 374.06500 168.0
[M+H-H2O]+ 318.09910 166.4
[M+HCOO]- 380.10004 198.0
[M+CH3COO]- 394.11569 205.4
[M+Na-2H]- 356.07651 180.0
[M]+ 335.10129 169.0
[M]- 335.10239 169.0
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.