CID 9656102

3-(3-nitrophenyl)-n'-(1-(4-nitrophenyl)ethylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C18H14N6O5
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N6O5/c1-11(12-5-7-14(8-6-12)23(26)27)19-22-18(25)17-10-16(20-21-17)13-3-2-4-15(9-13)24(28)29/h2-10H,1H3,(H,20,21)(H,22,25)/b19-11+
InChIKey
YNNMBENINUOARN-YBFXNURJSA-N
Compound name
3-(3-nitrophenyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.10257 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10985 185.4
[M+Na]+ 417.09179 186.8
[M-H]- 393.09529 192.7
[M+NH4]+ 412.13639 191.5
[M+K]+ 433.06573 175.0
[M+H-H2O]+ 377.09983 183.0
[M+HCOO]- 439.10077 209.0
[M+CH3COO]- 453.11642 211.6
[M+Na-2H]- 415.07724 192.8
[M]+ 394.10202 179.6
[M]- 394.10312 179.6
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.