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
(3aR,7aS)-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]+ 292.201946 173.4
[M+Na]+ 314.183888 178.3
[M-H]- 290.187394 175.3
[M+NH4]+ 309.228493 187.3
[M+K]+ 330.157828 173.9
[M+H-H2O]+ 274.191930 163.7
[M+HCOO]- 336.192871 185.5
[M+CH3COO]- 350.208521 203.0
[M+Na-2H]- 312.169336 171.3
[M]+ 291.19412142 168.5
[M]- 291.19521858 168.5
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.