CID 56843538

Brn 5752697

Structural Information

Molecular Formula
C19H21N
SMILES
CC1=CC=C(C=C1)[C@@H]2[C@H]3CCCN[C@H]3C4=CC=CC=C24
InChI
InChI=1S/C19H21N/c1-13-8-10-14(11-9-13)18-15-5-2-3-6-16(15)19-17(18)7-4-12-20-19/h2-3,5-6,8-11,17-20H,4,7,12H2,1H3/t17-,18+,19+/m1/s1
InChIKey
APVSTFZRQYVDGA-QYZOEREBSA-N
Compound name
(4aR,5S,9bR)-5-(4-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]+ 264.17468 163.9
[M+Na]+ 286.15662 178.4
[M+NH4]+ 281.20122 174.8
[M+K]+ 302.13056 170.5
[M-H]- 262.16012 169.6
[M+Na-2H]- 284.14207 170.7
[M]+ 263.16685 167.7
[M]- 263.16795 167.7
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.