CID 5361172

53758-02-4

Structural Information

Molecular Formula
C15H18FN
SMILES
CN1C2CCC1[C@H]3CC4=C([C@H]3C2)C=CC(=C4)F
InChI
InChI=1S/C15H18FN/c1-17-11-3-5-15(17)14-7-9-6-10(16)2-4-12(9)13(14)8-11/h2,4,6,11,13-15H,3,5,7-8H2,1H3/t11?,13-,14+,15?/m1/s1
InChIKey
ROZIHBRPDGBSOB-YTELLUSKSA-N
Compound name
(2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.14233 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14961 153.2
[M+Na]+ 254.13155 164.2
[M+NH4]+ 249.17615 163.9
[M+K]+ 270.10549 159.6
[M-H]- 230.13505 154.2
[M+Na-2H]- 252.11700 153.9
[M]+ 231.14178 155.0
[M]- 231.14288 155.0
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.