CID 3072030

Brn 5449611

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]+ 331.23802 184.7
[M+Na]+ 353.21996 189.4
[M-H]- 329.22346 187.7
[M+NH4]+ 348.26456 202.9
[M+K]+ 369.19390 185.1
[M+H-H2O]+ 313.22800 177.5
[M+HCOO]- 375.22894 203.0
[M+CH3COO]- 389.24459 213.8
[M+Na-2H]- 351.20541 183.1
[M]+ 330.23019 186.9
[M]- 330.23129 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.