CID 9838394

41303-74-6

Structural Information

Molecular Formula
C16H19NO3
SMILES
COC1=C2C3=C(CNCC[C@]34C=C[C@@H](C[C@@H]4O2)O)C=C1
InChI
InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3/t11-,13-,16-/m0/s1
InChIKey
AIXQQSTVOSFSMO-RBOXIYTFSA-N
Compound name
(1S,12S,14R)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

247
Patents

273.1365 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 162.7
[M+Na]+ 296.12572 168.8
[M-H]- 272.12922 166.7
[M+NH4]+ 291.17032 180.6
[M+K]+ 312.09966 167.4
[M+H-H2O]+ 256.13376 156.8
[M+HCOO]- 318.13470 174.8
[M+CH3COO]- 332.15035 172.7
[M+Na-2H]- 294.11117 167.5
[M]+ 273.13595 158.5
[M]- 273.13705 158.5
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.