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 190.7
[M+Na]+ 393.21487 194.3
[M-H]- 369.21837 196.5
[M+NH4]+ 388.25947 205.3
[M+K]+ 409.18881 190.5
[M+H-H2O]+ 353.22291 182.1
[M+HCOO]- 415.22385 202.4
[M+CH3COO]- 429.23950 198.7
[M+Na-2H]- 391.20032 190.1
[M]+ 370.22510 186.5
[M]- 370.22620 186.5
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.