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
Annotation Hits

0
References

0
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 174.8
[M+Na]+ 341.10272 180.7
[M-H]- 317.10622 181.4
[M+NH4]+ 336.14732 186.9
[M+K]+ 357.07666 176.2
[M+H-H2O]+ 301.11076 165.1
[M+HCOO]- 363.11170 187.2
[M+CH3COO]- 377.12735 184.7
[M+Na-2H]- 339.08817 175.1
[M]+ 318.11295 174.7
[M]- 318.11405 174.7
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.