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 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.