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 179.5
[M-H]- 310.15612 179.8
[M+NH4]+ 329.19722 186.2
[M+K]+ 350.12656 175.2
[M+H-H2O]+ 294.16066 164.1
[M+HCOO]- 356.16160 190.5
[M+CH3COO]- 370.17725 204.7
[M+Na-2H]- 332.13807 173.7
[M]+ 311.16285 171.6
[M]- 311.16395 171.6
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.