CID 3045107

58323-01-6

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC1=CC2=C(C=C1)O[C@H]3[C@@]2(CCC(=O)[C@H]3NC(=O)CCN4CCCC4)C
InChI
InChI=1S/C21H28N2O3/c1-14-5-6-17-15(13-14)21(2)9-7-16(24)19(20(21)26-17)22-18(25)8-12-23-10-3-4-11-23/h5-6,13,19-20H,3-4,7-12H2,1-2H3,(H,22,25)/t19-,20-,21-/m1/s1
InChIKey
OEPSBVJRHBUGJB-NJDAHSKKSA-N
Compound name
N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-pyrrolidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 187.0
[M+Na]+ 379.19922 195.4
[M+NH4]+ 374.24382 195.7
[M+K]+ 395.17316 191.1
[M-H]- 355.20272 191.0
[M+Na-2H]- 377.18467 188.9
[M]+ 356.20945 189.1
[M]- 356.21055 189.1
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.