CID 135511041

Ethyl 2,4-dimethyl-5-[(z)-(pyridine-4-carbonylhydrazono)methyl]-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C16H18N4O3
SMILES
CCOC(=O)C1=C(NC(=C1C)/C=N\NC(=O)C2=CC=NC=C2)C
InChI
InChI=1S/C16H18N4O3/c1-4-23-16(22)14-10(2)13(19-11(14)3)9-18-20-15(21)12-5-7-17-8-6-12/h5-9,19H,4H2,1-3H3,(H,20,21)/b18-9-
InChIKey
WKHXWBHLWACGQT-NVMNQCDNSA-N
Compound name
ethyl 2,4-dimethyl-5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.13788 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14516 173.8
[M+Na]+ 337.12710 180.4
[M-H]- 313.13060 178.5
[M+NH4]+ 332.17170 186.8
[M+K]+ 353.10104 177.0
[M+H-H2O]+ 297.13514 164.5
[M+HCOO]- 359.13608 196.9
[M+CH3COO]- 373.15173 210.4
[M+Na-2H]- 335.11255 174.9
[M]+ 314.13733 175.8
[M]- 314.13843 175.8
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.