CID 12885615

Brn 4698583

Structural Information

Molecular Formula
C19H20FN
SMILES
CN1CCC[C@H]2[C@@H]1C3=CC=CC=C3[C@H]2C4=CC=C(C=C4)F
InChI
InChI=1S/C19H20FN/c1-21-12-4-7-17-18(13-8-10-14(20)11-9-13)15-5-2-3-6-16(15)19(17)21/h2-3,5-6,8-11,17-19H,4,7,12H2,1H3/t17-,18-,19+/m1/s1
InChIKey
ZLKQOOAHHPICIU-QRVBRYPASA-N
Compound name
(4aR,5R,9bR)-5-(4-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 168.2
[M+Na]+ 304.14722 182.6
[M+NH4]+ 299.19182 178.5
[M+K]+ 320.12116 174.5
[M-H]- 280.15072 172.8
[M+Na-2H]- 302.13267 174.5
[M]+ 281.15745 171.7
[M]- 281.15855 171.7
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.