CID 202752

Piperazine, 1-((2-benzoyl-1-pyrrolyl)acetyl)-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CN1CCN(CC1)C(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H21N3O2/c1-19-10-12-20(13-11-19)17(22)14-21-9-5-8-16(21)18(23)15-6-3-2-4-7-15/h2-9H,10-14H2,1H3
InChIKey
GIAIWRZKNIVNHI-UHFFFAOYSA-N
Compound name
2-(2-benzoylpyrrol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1634 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 174.9
[M+Na]+ 334.15262 186.7
[M+NH4]+ 329.19722 181.2
[M+K]+ 350.12656 182.3
[M-H]- 310.15612 177.9
[M+Na-2H]- 332.13807 181.6
[M]+ 311.16285 177.2
[M]- 311.16395 177.2
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.

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No patent data available for this compound.