CID 3045101

58322-97-7

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CC1=CC2=C(C=C1)O[C@H]3[C@@]2(CCC(=O)[C@H]3NC(=O)CN4CCCC4)C
InChI
InChI=1S/C20H26N2O3/c1-13-5-6-16-14(11-13)20(2)8-7-15(23)18(19(20)25-16)21-17(24)12-22-9-3-4-10-22/h5-6,11,18-19H,3-4,7-10,12H2,1-2H3,(H,21,24)/t18-,19-,20-/m1/s1
InChIKey
OTXRXNZLIYUULF-VAMGGRTRSA-N
Compound name
N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 182.6
[M+Na]+ 365.18356 191.2
[M+NH4]+ 360.22816 191.5
[M+K]+ 381.15750 187.2
[M-H]- 341.18706 186.6
[M+Na-2H]- 363.16901 184.8
[M]+ 342.19379 184.8
[M]- 342.19489 184.8
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.