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: 1
Patents: 249.15175 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe