CID 14893

Dtxsid10927830

Structural Information

Molecular Formula
C16H21NO3
SMILES
CO[C@@H]1C[C@@]23C(CCN2CCC4=C3CC(=O)OC4)C=C1
InChI
InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,12-13H,4-10H2,1H3/t12?,13-,16-/m0/s1
InChIKey
KNCQXIPRCNNRCY-XGFYENRKSA-N
Compound name
(1S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),14-dien-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 162.7
[M+Na]+ 298.141348 168.5
[M-H]- 274.144854 167.5
[M+NH4]+ 293.185953 182.3
[M+K]+ 314.115288 165.9
[M+H-H2O]+ 258.149390 155.0
[M+HCOO]- 320.150331 174.9
[M+CH3COO]- 334.165981 173.2
[M+Na-2H]- 296.126796 166.2
[M]+ 275.15158142 159.3
[M]- 275.15267858 159.3
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.