CID 6862323

N'-[(e)-(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)methylidene]-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C22H19N7O3
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/NC(=O)C3=CC(=NN3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H19N7O3/c1-14-19(15(2)28(27-14)17-8-4-3-5-9-17)13-23-26-22(30)21-12-20(24-25-21)16-7-6-10-18(11-16)29(31)32/h3-13H,1-2H3,(H,24,25)(H,26,30)/b23-13+
InChIKey
ZKBNPZVYSPGOBD-YDZHTSKRSA-N
Compound name
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.15494 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.16222 197.7
[M+Na]+ 452.14416 203.5
[M-H]- 428.14766 207.7
[M+NH4]+ 447.18876 203.4
[M+K]+ 468.11810 193.1
[M+H-H2O]+ 412.15220 189.8
[M+HCOO]- 474.15314 221.7
[M+CH3COO]- 488.16879 225.1
[M+Na-2H]- 450.12961 201.9
[M]+ 429.15439 197.2
[M]- 429.15549 197.2
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.