CID 5490340

14-methyl-8-oxacyclorphan

Structural Information

Molecular Formula
C20H27NO2
SMILES
C[C@]12[C@H]3CC4=C(C1(CCCO2)C(CN3)CC5CC5)C=C(C=C4)O
InChI
InChI=1S/C20H27NO2/c1-19-18-10-14-5-6-16(22)11-17(14)20(19,7-2-8-23-19)15(12-21-18)9-13-3-4-13/h5-6,11,13,15,18,21-22H,2-4,7-10,12H2,1H3/t15?,18-,19+,20?/m1/s1
InChIKey
LBKCSTHNYNVNLW-IJAXVFOYSA-N
Compound name
(9R,10R)-15-(cyclopropylmethyl)-10-methyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

313.2042 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 178.7
[M+Na]+ 336.19342 192.6
[M+NH4]+ 331.23802 191.7
[M+K]+ 352.16736 182.4
[M-H]- 312.19692 191.6
[M+Na-2H]- 334.17887 186.8
[M]+ 313.20365 186.0
[M]- 313.20475 186.0
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.