CID 135483820

2-methyl-3-carbethoxy-4-isonicotinylhydrazono-5-hydroxypyrrole

Structural Information

Molecular Formula
C15H16N4O4
SMILES
CCOC(=O)C1=C(NC(=C1/C=N/NC(=O)C2=CC=NC=C2)O)C
InChI
InChI=1S/C15H16N4O4/c1-3-23-15(22)12-9(2)18-14(21)11(12)8-17-19-13(20)10-4-6-16-7-5-10/h4-8,18,21H,3H2,1-2H3,(H,19,20)/b17-8+
InChIKey
QSWQZQRFIXNLOX-CAOOACKPSA-N
Compound name
ethyl 5-hydroxy-2-methyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.11716 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12444 171.8
[M+Na]+ 339.10638 178.3
[M-H]- 315.10988 175.3
[M+NH4]+ 334.15098 184.0
[M+K]+ 355.08032 174.9
[M+H-H2O]+ 299.11442 162.8
[M+HCOO]- 361.11536 194.0
[M+CH3COO]- 375.13101 207.4
[M+Na-2H]- 337.09183 173.2
[M]+ 316.11661 173.0
[M]- 316.11771 173.0
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.