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 164.3
[M+Na]+ 295.14169 170.9
[M-H]- 271.14519 171.2
[M+NH4]+ 290.18629 181.3
[M+K]+ 311.11563 168.9
[M+H-H2O]+ 255.14973 155.8
[M+HCOO]- 317.15067 188.7
[M+CH3COO]- 331.16632 205.2
[M+Na-2H]- 293.12714 165.9
[M]+ 272.15192 168.3
[M]- 272.15302 168.3
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.