CID 129011822

Brn 5756010

Structural Information

Molecular Formula
C19H20FN
SMILES
CN1CCC[C@H]2[C@@H]1C3=CC=CC=C3[C@H]2C4=CC=CC=C4F
InChI
InChI=1S/C19H20FN/c1-21-12-6-10-16-18(15-9-4-5-11-17(15)20)13-7-2-3-8-14(13)19(16)21/h2-5,7-9,11,16,18-19H,6,10,12H2,1H3/t16-,18+,19+/m1/s1
InChIKey
XSJXIAITBRNRHO-NEWSRXKRSA-N
Compound name
(4aR,5S,9bR)-5-(2-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.158 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16528 166.7
[M+Na]+ 304.14722 174.5
[M-H]- 280.15072 172.0
[M+NH4]+ 299.19182 185.1
[M+K]+ 320.12116 167.8
[M+H-H2O]+ 264.15526 157.3
[M+HCOO]- 326.15620 182.9
[M+CH3COO]- 340.17185 177.5
[M+Na-2H]- 302.13267 168.2
[M]+ 281.15745 162.2
[M]- 281.15855 162.2
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.