CID 55859

Brn 5760699

Structural Information

Molecular Formula
C19H22N2O
SMILES
CC1=C(C=C(C=C1)[C@@H]2[C@@H]3CCCN[C@@H]3C4=C2C=C(C=C4)O)N
InChI
InChI=1S/C19H22N2O/c1-11-4-5-12(9-17(11)20)18-15-3-2-8-21-19(15)14-7-6-13(22)10-16(14)18/h4-7,9-10,15,18-19,21-22H,2-3,8,20H2,1H3/t15-,18+,19+/m0/s1
InChIKey
JLLFIEWMBLYKSN-KFKAGJAMSA-N
Compound name
(4aS,5S,9bS)-5-(3-amino-4-methylphenyl)-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

294.17322 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 170.8
[M+Na]+ 317.16244 183.4
[M+NH4]+ 312.20704 180.0
[M+K]+ 333.13638 177.4
[M-H]- 293.16594 175.7
[M+Na-2H]- 315.14789 175.4
[M]+ 294.17267 173.9
[M]- 294.17377 173.9
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.