CID 55863

Brn 5762771

Structural Information

Molecular Formula
C20H24N2O
SMILES
CN(C)C1=CC=C(C=C1)[C@@H]2[C@@H]3CCCN[C@@H]3C4=C2C=C(C=C4)O
InChI
InChI=1S/C20H24N2O/c1-22(2)14-7-5-13(6-8-14)19-17-4-3-11-21-20(17)16-10-9-15(23)12-18(16)19/h5-10,12,17,19-21,23H,3-4,11H2,1-2H3/t17-,19+,20+/m0/s1
InChIKey
QEQTUJBNOVLWJM-DFQSSKMNSA-N
Compound name
(4aS,5S,9bS)-5-[4-(dimethylamino)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.18887 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 173.6
[M+Na]+ 331.178088 179.1
[M-H]- 307.181594 178.8
[M+NH4]+ 326.222693 189.8
[M+K]+ 347.152028 173.1
[M+H-H2O]+ 291.186130 165.4
[M+HCOO]- 353.187071 189.2
[M+CH3COO]- 367.202721 183.2
[M+Na-2H]- 329.163536 174.8
[M]+ 308.18832142 169.1
[M]- 308.18941858 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.