CID 56843630

Brn 5752695

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/c1-13-6-4-7-14(12-13)18-15-8-2-3-9-16(15)19-17(18)10-5-11-20-19/h2-4,6-9,12,17-20H,5,10-11H2,1H3/t17-,18+,19+/m1/s1
InChIKey
QQBFCZHBIGXDMY-QYZOEREBSA-N
Compound name
(4aR,5S,9bR)-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1674 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.174676 162.8
[M+Na]+ 286.156618 169.3
[M-H]- 262.160124 167.9
[M+NH4]+ 281.201223 181.1
[M+K]+ 302.130558 162.2
[M+H-H2O]+ 246.164660 154.7
[M+HCOO]- 308.165601 178.7
[M+CH3COO]- 322.181251 173.3
[M+Na-2H]- 284.142066 165.5
[M]+ 263.16685142 157.3
[M]- 263.16794858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.