CID 5319205

Annotinin

Structural Information

Molecular Formula
C16H21NO3
SMILES
C[C@@H]1C[C@@]23[C@]14[C@@H]5C[C@H]([C@H]2CCCN3C[C@@H]6[C@H]4O6)OC5=O
InChI
InChI=1S/C16H21NO3/c1-8-6-15-9-3-2-4-17(15)7-12-13(19-12)16(8,15)10-5-11(9)20-14(10)18/h8-13H,2-7H2,1H3/t8-,9-,10-,11-,12-,13-,15+,16+/m1/s1
InChIKey
MVITYUVPZPGMRM-LZPZFNHJSA-N
Compound name
(1R,2S,4R,10S,11R,14S,15R,17S)-15-methyl-3,12-dioxa-6-azahexacyclo[8.4.3.111,14.01,17.02,4.06,17]octadecan-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 164.8
[M+Na]+ 298.14135 173.0
[M+NH4]+ 293.18595 174.7
[M+K]+ 314.11529 168.2
[M-H]- 274.14485 173.5
[M+Na-2H]- 296.12680 165.2
[M]+ 275.15158 168.9
[M]- 275.15268 168.9
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.