CID 154699668

(1s,5r,13r,14r,17r)-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol

Structural Information

Molecular Formula
C17H19NO3
SMILES
CN1C[C@@H]2CC3=C4C(=C(C=C3)O)O[C@@H]5[C@@]4(C1)[C@@H]2C=C[C@H]5O
InChI
InChI=1S/C17H19NO3/c1-18-7-10-6-9-2-4-12(19)15-14(9)17(8-18)11(10)3-5-13(20)16(17)21-15/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13+,16-,17-/m0/s1
InChIKey
ICXVGHUORQNRQF-NOSXKOESSA-N
Compound name
(1S,5R,13R,14R,17R)-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1365 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 164.6
[M+Na]+ 308.12572 177.0
[M+NH4]+ 303.17032 176.0
[M+K]+ 324.09966 170.2
[M-H]- 284.12922 167.8
[M+Na-2H]- 306.11117 165.7
[M]+ 285.13595 167.5
[M]- 285.13705 167.5
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

No patent data available for this compound.