CID 5056621

1,1'-(5,5'-methylenebis(1h-pyrrole-5,2-diyl))diethanone

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CC(=O)C1=CC=C(N1)CC2=CC=C(N2)C(=O)C
InChI
InChI=1S/C13H14N2O2/c1-8(16)12-5-3-10(14-12)7-11-4-6-13(15-11)9(2)17/h3-6,14-15H,7H2,1-2H3
InChIKey
IVVJOABUTUNADW-UHFFFAOYSA-N
Compound name
1-[5-[(5-acetyl-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 152.9
[M+Na]+ 253.09475 163.4
[M+NH4]+ 248.13935 158.8
[M+K]+ 269.06869 162.5
[M-H]- 229.09825 152.8
[M+Na-2H]- 251.08020 157.6
[M]+ 230.10498 154.0
[M]- 230.10608 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.