CID 157773

Fuziline

Structural Information

Molecular Formula
C24H39NO7
SMILES
CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@H](C(C31)[C@@]5([C@@H]6[C@H]4CC([C@@H]6O)[C@H]([C@@H]5O)OC)O)OC)O)COC
InChI
InChI=1S/C24H39NO7/c1-5-25-9-22(10-30-2)7-6-13(26)23-12-8-11-16(27)14(12)24(29,21(28)17(11)31-3)15(20(23)25)18(32-4)19(22)23/h11-21,26-29H,5-10H2,1-4H3/t11?,12-,13+,14-,15?,16+,17-,18+,19-,20?,21+,22+,23?,24-/m1/s1
InChIKey
FPECZWKKKKZPPP-JIHBGUTISA-N
Compound name
(2R,3R,4S,6R,7S,8R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

453.27264 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.27992 205.9
[M+Na]+ 476.26186 209.6
[M+NH4]+ 471.30646 216.2
[M+K]+ 492.23580 204.1
[M-H]- 452.26536 202.6
[M+Na-2H]- 474.24731 199.5
[M]+ 453.27209 205.5
[M]- 453.27319 205.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe