CID 55377

Ethanone, 1-(4-cyclopentylphenyl)-2-(4-methyl-1-piperazinyl)-, (z)-2-butenedioate (1:2)

Structural Information

Molecular Formula
C18H26N2O
SMILES
CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)C3CCCC3
InChI
InChI=1S/C18H26N2O/c1-19-10-12-20(13-11-19)14-18(21)17-8-6-16(7-9-17)15-4-2-3-5-15/h6-9,15H,2-5,10-14H2,1H3
InChIKey
LBQKSSNZFPMEQF-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.2045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.211776 171.7
[M+Na]+ 309.193718 174.3
[M-H]- 285.197224 177.0
[M+NH4]+ 304.238323 185.5
[M+K]+ 325.167658 170.1
[M+H-H2O]+ 269.201760 161.6
[M+HCOO]- 331.202701 186.3
[M+CH3COO]- 345.218351 201.1
[M+Na-2H]- 307.179166 169.4
[M]+ 286.20395142 164.9
[M]- 286.20504858 164.9
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

patents stripe