CID 55377

4-cyclopentylphenyl 4'-methylpiperazinomethyl ketone bis(hydrogen maleate)

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

0
Patents

286.2045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 171.7
[M+Na]+ 309.19372 174.3
[M-H]- 285.19722 177.0
[M+NH4]+ 304.23832 185.5
[M+K]+ 325.16766 170.1
[M+H-H2O]+ 269.20176 161.6
[M+HCOO]- 331.20270 186.3
[M+CH3COO]- 345.21835 201.1
[M+Na-2H]- 307.17917 169.4
[M]+ 286.20395 164.9
[M]- 286.20505 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