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 166.4
[M+Na]+ 302.15154 173.3
[M-H]- 278.15504 170.6
[M+NH4]+ 297.19614 183.7
[M+K]+ 318.12548 166.1
[M+H-H2O]+ 262.15958 158.9
[M+HCOO]- 324.16052 180.9
[M+CH3COO]- 338.17617 176.5
[M+Na-2H]- 300.13699 168.2
[M]+ 279.16177 161.0
[M]- 279.16287 161.0
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.