CID 3072029

Dtxsid00930590

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]+ 345.253646 189.2
[M+Na]+ 367.235588 193.5
[M-H]- 343.239094 192.1
[M+NH4]+ 362.280193 206.8
[M+K]+ 383.209528 188.9
[M+H-H2O]+ 327.243630 181.9
[M+HCOO]- 389.244571 207.2
[M+CH3COO]- 403.260221 216.7
[M+Na-2H]- 365.221036 187.2
[M]+ 344.24582142 191.7
[M]- 344.24691858 191.7
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.