CID 3072030

139761-06-1

Structural Information

Molecular Formula
C20H30N2O2
SMILES
CCCCCCNC(=O)OC1=CC2=C(C[C@@H]3[C@H]2CCN3CC)C=C1
InChI
InChI=1S/C20H30N2O2/c1-3-5-6-7-11-21-20(23)24-16-9-8-15-13-19-17(18(15)14-16)10-12-22(19)4-2/h8-9,14,17,19H,3-7,10-13H2,1-2H3,(H,21,23)/t17-,19+/m0/s1
InChIKey
XWDNADYVTFQMOY-PKOBYXMFSA-N
Compound name
[(3aR,8bS)-3-ethyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl] N-hexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.23074 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.238016 184.7
[M+Na]+ 353.219958 189.4
[M-H]- 329.223464 187.7
[M+NH4]+ 348.264563 202.9
[M+K]+ 369.193898 185.1
[M+H-H2O]+ 313.228000 177.5
[M+HCOO]- 375.228941 203.0
[M+CH3COO]- 389.244591 213.8
[M+Na-2H]- 351.205406 183.1
[M]+ 330.23019142 186.9
[M]- 330.23128858 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.