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]+ 295.180496 169.9
[M+Na]+ 317.162438 176.8
[M-H]- 293.165944 173.9
[M+NH4]+ 312.207043 186.2
[M+K]+ 333.136378 169.4
[M+H-H2O]+ 277.170480 162.5
[M+HCOO]- 339.171421 184.8
[M+CH3COO]- 353.187071 179.6
[M+Na-2H]- 315.147886 170.8
[M]+ 294.17267142 163.5
[M]- 294.17376858 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.