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 156.7
[M+Na]+ 270.12646 165.8
[M-H]- 246.12996 157.9
[M+NH4]+ 265.17106 180.0
[M+K]+ 286.10040 160.0
[M+H-H2O]+ 230.13450 150.9
[M+HCOO]- 292.13544 170.4
[M+CH3COO]- 306.15109 168.1
[M+Na-2H]- 268.11191 157.3
[M]+ 247.13669 153.7
[M]- 247.13779 153.7
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.