CID 71300683

Ram-386

Structural Information

Molecular Formula
C21H27NO4
SMILES
CCCCCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O
InChI
InChI=1S/C21H27NO4/c1-2-3-4-10-22-11-9-20-17-13-5-6-14(23)18(17)26-19(20)15(24)7-8-21(20,25)16(22)12-13/h5-6,16,19,23,25H,2-4,7-12H2,1H3/t16-,19+,20+,21-/m1/s1
InChIKey
JVUJAHMRKLLSTA-MBPVOVBZSA-N
Compound name
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-pentyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.194 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.20128 186.0
[M+Na]+ 380.18322 196.0
[M+NH4]+ 375.22782 197.1
[M+K]+ 396.15716 187.3
[M-H]- 356.18672 187.9
[M+Na-2H]- 378.16867 186.0
[M]+ 357.19345 188.1
[M]- 357.19455 188.1
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.