CID 3072029

Brn 5451297

Structural Information

Molecular Formula
C21H32N2O2
SMILES
CCCCCCCNC(=O)OC1=CC2=C(C[C@@H]3[C@H]2CCN3CC)C=C1
InChI
InChI=1S/C21H32N2O2/c1-3-5-6-7-8-12-22-21(24)25-17-10-9-16-14-20-18(19(16)15-17)11-13-23(20)4-2/h9-10,15,18,20H,3-8,11-14H2,1-2H3,(H,22,24)/t18-,20+/m0/s1
InChIKey
NNWAKPXOOYJLNL-AZUAARDMSA-N
Compound name
[(3aR,8bS)-3-ethyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl] N-heptylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.24637 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.25365 187.6
[M+Na]+ 367.23559 195.5
[M+NH4]+ 362.28019 194.8
[M+K]+ 383.20953 191.7
[M-H]- 343.23909 188.8
[M+Na-2H]- 365.22104 187.8
[M]+ 344.24582 188.7
[M]- 344.24692 188.7
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.