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 169.9
[M+Na]+ 317.16244 176.8
[M-H]- 293.16594 173.9
[M+NH4]+ 312.20704 186.2
[M+K]+ 333.13638 169.4
[M+H-H2O]+ 277.17048 162.5
[M+HCOO]- 339.17142 184.8
[M+CH3COO]- 353.18707 179.6
[M+Na-2H]- 315.14789 170.8
[M]+ 294.17267 163.5
[M]- 294.17377 163.5
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.