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]+ 309.19615 173.6
[M+Na]+ 331.17809 179.1
[M-H]- 307.18159 178.8
[M+NH4]+ 326.22269 189.8
[M+K]+ 347.15203 173.1
[M+H-H2O]+ 291.18613 165.4
[M+HCOO]- 353.18707 189.2
[M+CH3COO]- 367.20272 183.2
[M+Na-2H]- 329.16354 174.8
[M]+ 308.18832 169.1
[M]- 308.18942 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.