CID 3045103

58322-98-8

Structural Information

Molecular Formula
C25H30N2O3
SMILES
CCN(CC1=CC=CC=C1)CC(=O)N[C@H]2[C@@H]3[C@](CCC2=O)(C4=C(O3)C=CC(=C4)C)C
InChI
InChI=1S/C25H30N2O3/c1-4-27(15-18-8-6-5-7-9-18)16-22(29)26-23-20(28)12-13-25(3)19-14-17(2)10-11-21(19)30-24(23)25/h5-11,14,23-24H,4,12-13,15-16H2,1-3H3,(H,26,29)/t23-,24-,25-/m1/s1
InChIKey
YEZCGGLSQBMEGP-UBFVSLLYSA-N
Compound name
N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-2-[benzyl(ethyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.22565 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.23293 200.3
[M+Na]+ 429.21487 204.7
[M-H]- 405.21837 209.5
[M+NH4]+ 424.25947 215.2
[M+K]+ 445.18881 201.5
[M+H-H2O]+ 389.22291 191.7
[M+HCOO]- 451.22385 218.1
[M+CH3COO]- 465.23950 233.7
[M+Na-2H]- 427.20032 201.1
[M]+ 406.22510 201.4
[M]- 406.22620 201.4
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.