CID 3056763

4-cyclohexene-1,2-dicarboximide, n-(3-(4-methyl-1-piperazinyl)propyl)-, (z)-

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CN1CCN(CC1)CCCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI
InChI=1S/C16H25N3O2/c1-17-9-11-18(12-10-17)7-4-8-19-15(20)13-5-2-3-6-14(13)16(19)21/h2-3,13-14H,4-12H2,1H3/t13-,14+
InChIKey
ZFIREMHOBYNSBB-OKILXGFUSA-N
Compound name
(3aS,7aR)-2-[3-(4-methylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.19467 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 173.2
[M+Na]+ 314.18389 183.0
[M+NH4]+ 309.22849 179.9
[M+K]+ 330.15783 178.2
[M-H]- 290.18739 174.5
[M+Na-2H]- 312.16934 174.9
[M]+ 291.19412 174.5
[M]- 291.19522 174.5
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.