CID 55857

Brn 4701840

Structural Information

Molecular Formula
C19H21NO
SMILES
CC1=CC=C(C=C1)[C@H]2[C@@H]3CCCN[C@@H]3C4=C2C=C(C=C4)O
InChI
InChI=1S/C19H21NO/c1-12-4-6-13(7-5-12)18-16-3-2-10-20-19(16)15-9-8-14(21)11-17(15)18/h4-9,11,16,18-21H,2-3,10H2,1H3/t16-,18-,19+/m0/s1
InChIKey
HCKLXAQTPVFXJC-YTQUADARSA-N
Compound name
(4aS,5R,9bS)-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.16232 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16960 167.3
[M+Na]+ 302.15154 181.1
[M+NH4]+ 297.19614 177.2
[M+K]+ 318.12548 174.2
[M-H]- 278.15504 172.0
[M+Na-2H]- 300.13699 172.8
[M]+ 279.16177 170.6
[M]- 279.16287 170.6
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

No patent data available for this compound.