CID 5361170

53757-98-5

Structural Information

Molecular Formula
C15H18FNO
SMILES
CN1C2CCC1[C@@H]3[C@H](C2)C4=C([C@H]3O)C=C(C=C4)F
InChI
InChI=1S/C15H18FNO/c1-17-9-3-5-13(17)14-11(7-9)10-4-2-8(16)6-12(10)15(14)18/h2,4,6,9,11,13-15,18H,3,5,7H2,1H3/t9?,11-,13?,14+,15-/m1/s1
InChIKey
SIJYKTGHBBXAEW-BSWYALBUSA-N
Compound name
(2S,3S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13724 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14452 156.4
[M+Na]+ 270.12646 166.7
[M+NH4]+ 265.17106 166.2
[M+K]+ 286.10040 163.2
[M-H]- 246.12996 156.5
[M+Na-2H]- 268.11191 155.9
[M]+ 247.13669 157.7
[M]- 247.13779 157.7
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.