CID 52576

73816-65-6

Structural Information

Molecular Formula
C16H29N3
SMILES
CN1CCN(CC1)CCCN2CC3CC=CCC3C2
InChI
InChI=1S/C16H29N3/c1-17-9-11-18(12-10-17)7-4-8-19-13-15-5-2-3-6-16(15)14-19/h2-3,15-16H,4-14H2,1H3
InChIKey
FNUJFJIIMIYYBY-UHFFFAOYSA-N
Compound name
2-[3-(4-methylpiperazin-1-yl)propyl]-1,3,3a,4,7,7a-hexahydroisoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.23615 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.24343 168.9
[M+Na]+ 286.22537 179.0
[M+NH4]+ 281.26997 177.4
[M+K]+ 302.19931 172.8
[M-H]- 262.22887 171.6
[M+Na-2H]- 284.21082 172.2
[M]+ 263.23560 170.9
[M]- 263.23670 170.9
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

No patent data available for this compound.