CID 3072031

Brn 5447090

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CCCCNC(=O)OC1=CC2=C(C[C@@H]3[C@H]2CCN3CC)C=C1
InChI
InChI=1S/C18H26N2O2/c1-3-5-9-19-18(21)22-14-7-6-13-11-17-15(16(13)12-14)8-10-20(17)4-2/h6-7,12,15,17H,3-5,8-11H2,1-2H3,(H,19,21)/t15-,17+/m0/s1
InChIKey
JYMNJIDLAQUBDE-DOTOQJQBSA-N
Compound name
[(3aR,8bS)-3-ethyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl] N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 174.3
[M+Na]+ 325.18865 182.7
[M+NH4]+ 320.23325 182.0
[M+K]+ 341.16259 179.6
[M-H]- 301.19215 175.5
[M+Na-2H]- 323.17410 175.2
[M]+ 302.19888 175.5
[M]- 302.19998 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.