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 175.5
[M+Na]+ 325.18865 181.2
[M-H]- 301.19215 179.0
[M+NH4]+ 320.23325 194.9
[M+K]+ 341.16259 177.3
[M+H-H2O]+ 285.19669 168.7
[M+HCOO]- 347.19763 194.6
[M+CH3COO]- 361.21328 207.9
[M+Na-2H]- 323.17410 175.0
[M]+ 302.19888 177.1
[M]- 302.19998 177.1
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.