CID 6479557

Ethyl (5z)-5-[(3,5-dimethyl-1h-pyrrol-2-yl)methylene]-2,4-dimethyl-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CCOC(=O)C1=C(/C(=C/C2=C(C=C(N2)C)C)/N=C1C)C
InChI
InChI=1S/C16H20N2O2/c1-6-20-16(19)15-11(4)14(18-12(15)5)8-13-9(2)7-10(3)17-13/h7-8,17H,6H2,1-5H3/b14-8-
InChIKey
KMLTYXFAUNCOOC-ZSOIEALJSA-N
Compound name
ethyl (5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 164.9
[M+Na]+ 295.14169 174.9
[M-H]- 271.14519 169.1
[M+NH4]+ 290.18629 182.5
[M+K]+ 311.11563 170.4
[M+H-H2O]+ 255.14973 158.2
[M+HCOO]- 317.15067 185.9
[M+CH3COO]- 331.16632 198.8
[M+Na-2H]- 293.12714 161.8
[M]+ 272.15192 168.2
[M]- 272.15302 168.2
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.