CID 9662656

3-(3-nitrophenyl)-n'-(1-phenylethylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C18H15N5O3
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC=CC=C3
InChI
InChI=1S/C18H15N5O3/c1-12(13-6-3-2-4-7-13)19-22-18(24)17-11-16(20-21-17)14-8-5-9-15(10-14)23(25)26/h2-11H,1H3,(H,20,21)(H,22,24)/b19-12+
InChIKey
SMUXGZWARUNPKN-XDHOZWIPSA-N
Compound name
3-(3-nitrophenyl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12478 177.2
[M+Na]+ 372.10672 180.8
[M-H]- 348.11022 184.7
[M+NH4]+ 367.15132 186.7
[M+K]+ 388.08066 172.2
[M+H-H2O]+ 332.11476 170.9
[M+HCOO]- 394.11570 201.2
[M+CH3COO]- 408.13135 209.1
[M+Na-2H]- 370.09217 182.9
[M]+ 349.11695 173.3
[M]- 349.11805 173.3
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.