CID 3072018

Brn 5449163

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CCN1CC[C@@]2([C@H]1CC3=C2C=C(C=C3)OC(=O)NC(C)(C)C)C
InChI
InChI=1S/C19H28N2O2/c1-6-21-10-9-19(5)15-12-14(8-7-13(15)11-16(19)21)23-17(22)20-18(2,3)4/h7-8,12,16H,6,9-11H2,1-5H3,(H,20,22)/t16-,19+/m1/s1
InChIKey
CSENCZKLXRJGFD-APWZRJJASA-N
Compound name
[(3aR,8bS)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.2151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.22238 180.3
[M+Na]+ 339.20432 187.1
[M-H]- 315.20782 184.3
[M+NH4]+ 334.24892 201.5
[M+K]+ 355.17826 183.6
[M+H-H2O]+ 299.21236 175.0
[M+HCOO]- 361.21330 197.5
[M+CH3COO]- 375.22895 210.2
[M+Na-2H]- 337.18977 181.8
[M]+ 316.21455 182.1
[M]- 316.21565 182.1
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.