CID 55867

Brn 5752563

Structural Information

Molecular Formula
C17H18N2
SMILES
C1C[C@H]2[C@@H](C3=CC=CC=C3[C@H]2NC1)C4=CC=NC=C4
InChI
InChI=1S/C17H18N2/c1-2-5-14-13(4-1)16(12-7-10-18-11-8-12)15-6-3-9-19-17(14)15/h1-2,4-5,7-8,10-11,15-17,19H,3,6,9H2/t15-,16+,17+/m0/s1
InChIKey
RDAYWIILEIAASU-GVDBMIGSSA-N
Compound name
(4aS,5R,9bS)-5-pyridin-4-yl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.147 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.154276 157.9
[M+Na]+ 273.136218 164.3
[M-H]- 249.139724 161.4
[M+NH4]+ 268.180823 175.0
[M+K]+ 289.110158 157.5
[M+H-H2O]+ 233.144260 148.8
[M+HCOO]- 295.145201 173.1
[M+CH3COO]- 309.160851 168.1
[M+Na-2H]- 271.121666 162.3
[M]+ 250.14645142 151.8
[M]- 250.14754858 151.8
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.