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]+ 350.124776 177.2
[M+Na]+ 372.106718 180.8
[M-H]- 348.110224 184.7
[M+NH4]+ 367.151323 186.7
[M+K]+ 388.080658 172.2
[M+H-H2O]+ 332.114760 170.9
[M+HCOO]- 394.115701 201.2
[M+CH3COO]- 408.131351 209.1
[M+Na-2H]- 370.092166 182.9
[M]+ 349.11695142 173.3
[M]- 349.11804858 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.