CID 10957257

Sedacryptine

Structural Information

Molecular Formula
C17H25NO3
SMILES
C[C@@]1(C[C@@H]2[C@H](O1)CC[C@@H](N2C)C[C@H](C3=CC=CC=C3)O)O
InChI
InChI=1S/C17H25NO3/c1-17(20)11-14-16(21-17)9-8-13(18(14)2)10-15(19)12-6-4-3-5-7-12/h3-7,13-16,19-20H,8-11H2,1-2H3/t13-,14-,15-,16-,17-/m1/s1
InChIKey
FDAXNEZUTYNBGI-WRQOLXDDSA-N
Compound name
(2R,3aR,5R,7aR)-5-[(2R)-2-hydroxy-2-phenylethyl]-2,4-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

291.18344 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.190716 170.4
[M+Na]+ 314.172658 175.5
[M-H]- 290.176164 173.9
[M+NH4]+ 309.217263 186.6
[M+K]+ 330.146598 172.6
[M+H-H2O]+ 274.180700 163.7
[M+HCOO]- 336.181641 182.9
[M+CH3COO]- 350.197291 197.8
[M+Na-2H]- 312.158106 171.0
[M]+ 291.18289142 167.0
[M]- 291.18398858 167.0
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.