CID 3073116

Multifluoramine methiodide

Structural Information

Molecular Formula
C22H28NO5
SMILES
C[N+]1(CCC2=CC(=C(C3=C2[C@H]1CCC4=CC(=C(C(=C43)OC)O)OC)O)OC)C
InChI
InChI=1S/C22H27NO5/c1-23(2)9-8-13-11-15(26-3)20(24)19-17(13)14(23)7-6-12-10-16(27-4)21(25)22(28-5)18(12)19/h10-11,14H,6-9H2,1-5H3,(H-,24,25)/p+1/t14-/m1/s1
InChIKey
ITOZHBRGHNSJOZ-CQSZACIVSA-O
Compound name
(10R)-3,5,16-trimethoxy-11,11-dimethyl-11-azoniatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-4,17-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.19675 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20403 187.3
[M+Na]+ 409.18597 200.6
[M+NH4]+ 404.23057 196.3
[M+K]+ 425.15991 194.1
[M-H]- 385.18947 190.3
[M+Na-2H]- 407.17142 190.6
[M]+ 386.19620 190.7
[M]- 386.19730 190.7
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.