CID 41302

5-(4-methylpiperazinoacetyl)indane di(hydrogen maleate)

Structural Information

Molecular Formula
C16H22N2O
SMILES
CN1CCN(CC1)CC(=O)C2=CC3=C(CCC3)C=C2
InChI
InChI=1S/C16H22N2O/c1-17-7-9-18(10-8-17)12-16(19)15-6-5-13-3-2-4-14(13)11-15/h5-6,11H,2-4,7-10,12H2,1H3
InChIKey
NOJLCYRFVXGDDB-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 163.1
[M+Na]+ 281.16244 174.5
[M+NH4]+ 276.20704 171.6
[M+K]+ 297.13638 169.0
[M-H]- 257.16594 166.1
[M+Na-2H]- 279.14789 167.9
[M]+ 258.17267 165.4
[M]- 258.17377 165.4
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.