CID 3045105

58323-00-5

Structural Information

Molecular Formula
C19H26N2O3
SMILES
CC1=CC2=C(C=C1)O[C@H]3[C@@]2(CCC(=O)[C@H]3NC(=O)CCN(C)C)C
InChI
InChI=1S/C19H26N2O3/c1-12-5-6-15-13(11-12)19(2)9-7-14(22)17(18(19)24-15)20-16(23)8-10-21(3)4/h5-6,11,17-18H,7-10H2,1-4H3,(H,20,23)/t17-,18-,19-/m1/s1
InChIKey
WEKMMWBTZVOSAD-GUDVDZBRSA-N
Compound name
N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-(dimethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.19434 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 179.3
[M+Na]+ 353.18356 188.2
[M+NH4]+ 348.22816 188.1
[M+K]+ 369.15750 182.6
[M-H]- 329.18706 183.2
[M+Na-2H]- 351.16901 181.8
[M]+ 330.19379 181.6
[M]- 330.19489 181.6
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.