CID 44358269

Brn 5753946

Structural Information

Molecular Formula
C19H21N
SMILES
CC1=CC=CC=C1[C@@H]2[C@@H]3CCCN[C@@H]3C4=CC=CC=C24
InChI
InChI=1S/C19H21N/c1-13-7-2-3-8-14(13)18-15-9-4-5-10-16(15)19-17(18)11-6-12-20-19/h2-5,7-10,17-20H,6,11-12H2,1H3/t17-,18-,19+/m0/s1
InChIKey
NWGRBFWGGWYBEZ-GBESFXJTSA-N
Compound name
(4aS,5S,9bS)-5-(2-methylphenyl)-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

263.1674 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 162.8
[M+Na]+ 286.15662 169.3
[M-H]- 262.16012 167.9
[M+NH4]+ 281.20122 181.1
[M+K]+ 302.13056 162.2
[M+H-H2O]+ 246.16466 154.7
[M+HCOO]- 308.16560 178.7
[M+CH3COO]- 322.18125 173.3
[M+Na-2H]- 284.14207 165.5
[M]+ 263.16685 157.3
[M]- 263.16795 157.3
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

patents stripe