CID 6862314

N'-(4-methylbenzylidene)-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C18H15N5O3
SMILES
CC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H15N5O3/c1-12-5-7-13(8-6-12)11-19-22-18(24)17-10-16(20-21-17)14-3-2-4-15(9-14)23(25)26/h2-11H,1H3,(H,20,21)(H,22,24)/b19-11+
InChIKey
MNJYEZCBDJDYFD-YBFXNURJSA-N
Compound name
N-[(E)-(4-methylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1175 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12478 178.2
[M+Na]+ 372.10672 183.0
[M-H]- 348.11022 185.9
[M+NH4]+ 367.15132 188.1
[M+K]+ 388.08066 173.7
[M+H-H2O]+ 332.11476 171.9
[M+HCOO]- 394.11570 203.1
[M+CH3COO]- 408.13135 209.5
[M+Na-2H]- 370.09217 184.2
[M]+ 349.11695 175.2
[M]- 349.11805 175.2
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.