CID 9618250

302918-09-8

Structural Information

Molecular Formula
C22H17N5O3
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C22H17N5O3/c1-14(16-10-9-15-5-2-3-6-17(15)11-16)23-26-22(28)21-13-20(24-25-21)18-7-4-8-19(12-18)27(29)30/h2-13H,1H3,(H,24,25)(H,26,28)/b23-14+
InChIKey
HNOYZILVAFCZFJ-OEAKJJBVSA-N
Compound name
N-[(E)-1-naphthalen-2-ylethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.13315 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14043 190.5
[M+Na]+ 422.12237 204.7
[M+NH4]+ 417.16697 196.6
[M+K]+ 438.09631 201.9
[M-H]- 398.12587 197.7
[M+Na-2H]- 420.10782 199.9
[M]+ 399.13260 194.2
[M]- 399.13370 194.2
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.