CID 26679

1-(2-(dimethylamino)ethyl)-2-(o-methoxybenzoyl)pyrrole monohydrochloride

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CN(C)CCN1C=CC=C1C(=O)C2=CC=CC=C2OC
InChI
InChI=1S/C16H20N2O2/c1-17(2)11-12-18-10-6-8-14(18)16(19)13-7-4-5-9-15(13)20-3/h4-10H,11-12H2,1-3H3
InChIKey
NQUJNXIEBDSVEM-UHFFFAOYSA-N
Compound name
[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(2-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 164.7
[M+Na]+ 295.14169 176.3
[M+NH4]+ 290.18629 172.0
[M+K]+ 311.11563 171.8
[M-H]- 271.14519 168.1
[M+Na-2H]- 293.12714 171.6
[M]+ 272.15192 167.1
[M]- 272.15302 167.1
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.