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]+ 251.15428 157.9
[M+Na]+ 273.13622 164.3
[M-H]- 249.13972 161.4
[M+NH4]+ 268.18082 175.0
[M+K]+ 289.11016 157.5
[M+H-H2O]+ 233.14426 148.8
[M+HCOO]- 295.14520 173.1
[M+CH3COO]- 309.16085 168.1
[M+Na-2H]- 271.12167 162.3
[M]+ 250.14645 151.8
[M]- 250.14755 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.