CID 6862321

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

Structural Information

Molecular Formula
C18H15N5O4
SMILES
COC1=CC=CC(=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H15N5O4/c1-27-15-7-2-4-12(8-15)11-19-22-18(24)17-10-16(20-21-17)13-5-3-6-14(9-13)23(25)26/h2-11H,1H3,(H,20,21)(H,22,24)/b19-11+
InChIKey
SBXNYASFDPFZGV-YBFXNURJSA-N
Compound name
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1124 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11968 180.6
[M+Na]+ 388.10162 185.0
[M-H]- 364.10512 188.3
[M+NH4]+ 383.14622 189.7
[M+K]+ 404.07556 176.5
[M+H-H2O]+ 348.10966 174.1
[M+HCOO]- 410.11060 205.7
[M+CH3COO]- 424.12625 211.7
[M+Na-2H]- 386.08707 186.9
[M]+ 365.11185 178.9
[M]- 365.11295 178.9
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.