CID 26683

2-(p-chlorobenzoyl)-1-(2-morpholinoethyl)pyrrole monohydrochloride

Structural Information

Molecular Formula
C17H19ClN2O2
SMILES
C1COCCN1CCN2C=CC=C2C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2O2/c18-15-5-3-14(4-6-15)17(21)16-2-1-7-20(16)9-8-19-10-12-22-13-11-19/h1-7H,8-13H2
InChIKey
VDSDUKHPOZWPRT-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

318.1135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12078 173.8
[M+Na]+ 341.10272 187.6
[M+NH4]+ 336.14732 181.6
[M+K]+ 357.07666 181.7
[M-H]- 317.10622 179.4
[M+Na-2H]- 339.08817 181.0
[M]+ 318.11295 177.6
[M]- 318.11405 177.6
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.