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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.206706	175.5
[M+Na]+	325.188648	181.2
[M-H]-	301.192154	179.0
[M+NH4]+	320.233253	194.9
[M+K]+	341.162588	177.3
[M+H-H2O]+	285.196690	168.7
[M+HCOO]-	347.197631	194.6
[M+CH3COO]-	361.213281	207.9
[M+Na-2H]-	323.174096	175.0
[M]+	302.19888142	177.1
[M]-	302.19997858	177.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.