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]+ 343.201616 182.2
[M+Na]+ 365.183558 187.5
[M-H]- 341.187064 189.2
[M+NH4]+ 360.228163 200.0
[M+K]+ 381.157498 184.0
[M+H-H2O]+ 325.191600 175.5
[M+HCOO]- 387.192541 197.0
[M+CH3COO]- 401.208191 191.9
[M+Na-2H]- 363.169006 181.1
[M]+ 342.19379142 179.8
[M]- 342.19488858 179.8
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.