CID 3045113

58323-08-3

Structural Information

Molecular Formula
C22H33N3O3
SMILES
CC1=CC2=C(C=C1)O[C@H]3[C@@]2(CCC(=O)[C@H]3NC(=O)CCN(C)CCN(C)C)C
InChI
InChI=1S/C22H33N3O3/c1-15-6-7-18-16(14-15)22(2)10-8-17(26)20(21(22)28-18)23-19(27)9-11-25(5)13-12-24(3)4/h6-7,14,20-21H,8-13H2,1-5H3,(H,23,27)/t20-,21-,22-/m1/s1
InChIKey
VLXYACFETPOARH-YPAWHYETSA-N
Compound name
N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.2522 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.25948 196.0
[M+Na]+ 410.24142 203.0
[M+NH4]+ 405.28602 203.9
[M+K]+ 426.21536 197.7
[M-H]- 386.24492 200.2
[M+Na-2H]- 408.22687 197.7
[M]+ 387.25165 198.0
[M]- 387.25275 198.0
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.