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 189.2
[M+Na]+ 367.23559 193.5
[M-H]- 343.23909 192.1
[M+NH4]+ 362.28019 206.8
[M+K]+ 383.20953 188.9
[M+H-H2O]+ 327.24363 181.9
[M+HCOO]- 389.24457 207.2
[M+CH3COO]- 403.26022 216.7
[M+Na-2H]- 365.22104 187.2
[M]+ 344.24582 191.7
[M]- 344.24692 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.