CID 71301021

Ram-385

Structural Information

Molecular Formula
C24H23NO5
SMILES
C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC(=O)C6=CC=CC=C6)[C@H](C1=O)OC5=C(C=C4)O)O
InChI
InChI=1S/C24H23NO5/c26-16-7-6-15-12-19-24(29)9-8-17(27)22-23(24,20(15)21(16)30-22)10-11-25(19)13-18(28)14-4-2-1-3-5-14/h1-7,19,22,26,29H,8-13H2/t19-,22+,23+,24-/m1/s1
InChIKey
RPCLCXHTAXNHEO-QLBRKBSLSA-N
Compound name
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-phenacyl-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

405.15762 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16490 193.1
[M+Na]+ 428.14684 198.3
[M-H]- 404.15034 197.5
[M+NH4]+ 423.19144 208.6
[M+K]+ 444.12078 193.7
[M+H-H2O]+ 388.15488 182.8
[M+HCOO]- 450.15582 198.6
[M+CH3COO]- 464.17147 200.3
[M+Na-2H]- 426.13229 195.5
[M]+ 405.15707 191.3
[M]- 405.15817 191.3
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.