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]+ 273.159746 164.9
[M+Na]+ 295.141688 174.9
[M-H]- 271.145194 169.1
[M+NH4]+ 290.186293 182.5
[M+K]+ 311.115628 170.4
[M+H-H2O]+ 255.149730 158.2
[M+HCOO]- 317.150671 185.9
[M+CH3COO]- 331.166321 198.8
[M+Na-2H]- 293.127136 161.8
[M]+ 272.15192142 168.2
[M]- 272.15301858 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

literature stripe

Patent stripe

No patent data available for this compound.