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]+ 312.170676 174.9
[M+Na]+ 334.152618 179.5
[M-H]- 310.156124 179.8
[M+NH4]+ 329.197223 186.2
[M+K]+ 350.126558 175.2
[M+H-H2O]+ 294.160660 164.1
[M+HCOO]- 356.161601 190.5
[M+CH3COO]- 370.177251 204.7
[M+Na-2H]- 332.138066 173.7
[M]+ 311.16285142 171.6
[M]- 311.16394858 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.