CID 6865176

N'-[(e)-(4-chloro-3-nitrophenyl)methylidene]-2-(1-methyl-1h-pyrrol-2-yl)acetohydrazide

Structural Information

Molecular Formula
C14H13ClN4O3
SMILES
CN1C=CC=C1CC(=O)N/N=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H13ClN4O3/c1-18-6-2-3-11(18)8-14(20)17-16-9-10-4-5-12(15)13(7-10)19(21)22/h2-7,9H,8H2,1H3,(H,17,20)/b16-9+
InChIKey
MHKYAIWHNDLPMK-CXUHLZMHSA-N
Compound name
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

320.06763 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07491 173.3
[M+Na]+ 343.05685 179.9
[M-H]- 319.06035 180.1
[M+NH4]+ 338.10145 187.8
[M+K]+ 359.03079 171.5
[M+H-H2O]+ 303.06489 169.7
[M+HCOO]- 365.06583 196.4
[M+CH3COO]- 379.08148 204.9
[M+Na-2H]- 341.04230 177.8
[M]+ 320.06708 175.0
[M]- 320.06818 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.