CID 5474815

2-((4-ethyl-3,5-dimethyl-2h-pyrrol-2-ylidene)methyl)-3,5-dimethyl-1h-pyrrole

Structural Information

Molecular Formula
C15H20N2
SMILES
CCC1=C(/C(=C/C2=C(C=C(N2)C)C)/N=C1C)C
InChI
InChI=1S/C15H20N2/c1-6-13-11(4)15(17-12(13)5)8-14-9(2)7-10(3)16-14/h7-8,16H,6H2,1-5H3/b15-8-
InChIKey
JWZJUSFXXZXYIU-NVNXTCNLSA-N
Compound name
(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.16264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 154.7
[M+Na]+ 251.15186 165.4
[M-H]- 227.15536 158.8
[M+NH4]+ 246.19646 174.3
[M+K]+ 267.12580 160.2
[M+H-H2O]+ 211.15990 148.1
[M+HCOO]- 273.16084 176.5
[M+CH3COO]- 287.17649 192.3
[M+Na-2H]- 249.13731 153.2
[M]+ 228.16209 156.2
[M]- 228.16319 156.2
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.