CID 38055

Brn 5750175

Structural Information

Molecular Formula
C18H19N
SMILES
C1C[C@H]2[C@H](C3=CC=CC=C3[C@H]2NC1)C4=CC=CC=C4
InChI
InChI=1S/C18H19N/c1-2-7-13(8-3-1)17-14-9-4-5-10-15(14)18-16(17)11-6-12-19-18/h1-5,7-10,16-19H,6,11-12H2/t16-,17-,18+/m0/s1
InChIKey
SZHZTVQTASRAPD-OKZBNKHCSA-N
Compound name
(4aS,5S,9bS)-5-phenyl-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

249.15175 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15903 157.7
[M+Na]+ 272.14097 163.7
[M-H]- 248.14447 162.5
[M+NH4]+ 267.18557 176.2
[M+K]+ 288.11491 156.8
[M+H-H2O]+ 232.14901 149.5
[M+HCOO]- 294.14995 173.9
[M+CH3COO]- 308.16560 168.3
[M+Na-2H]- 270.12642 161.6
[M]+ 249.15120 151.4
[M]- 249.15230 151.4
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.