CID 3045109

58323-02-7

Structural Information

Molecular Formula
C22H30N2O3
SMILES
CC1=CC2=C(C=C1)O[C@H]3[C@@]2(CCC(=O)[C@H]3NC(=O)CCN4CCCCC4)C
InChI
InChI=1S/C22H30N2O3/c1-15-6-7-18-16(14-15)22(2)10-8-17(25)20(21(22)27-18)23-19(26)9-13-24-11-4-3-5-12-24/h6-7,14,20-21H,3-5,8-13H2,1-2H3,(H,23,26)/t20-,21-,22-/m1/s1
InChIKey
WKLHDLDHAUKCIH-YPAWHYETSA-N
Compound name
N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-piperidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.22565 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23293 191.9
[M+Na]+ 393.21487 201.2
[M+NH4]+ 388.25947 200.7
[M+K]+ 409.18881 194.4
[M-H]- 369.21837 196.6
[M+Na-2H]- 391.20032 194.4
[M]+ 370.22510 194.4
[M]- 370.22620 194.4
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.