CID 5745433

Ram-308

Structural Information

Molecular Formula
C17H21NO2
SMILES
COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)CCC5)C=C1
InChI
InChI=1S/C17H21NO2/c1-19-13-6-5-10-9-12-11-3-2-4-14-17(11,7-8-18-12)15(10)16(13)20-14/h5-6,11-12,14,18H,2-4,7-9H2,1H3/t11-,12+,14-,17+/m0/s1
InChIKey
SJOYTXXOWVAFDO-GMIGKAJZSA-N
Compound name
(4R,4aR,7aS,12bS)-9-methoxy-1,2,3,4,4a,5,6,7,7a,13-decahydro-4,12-methanobenzofuro[3,2-e]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

271.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 160.6
[M+Na]+ 294.146448 165.7
[M-H]- 270.149954 163.0
[M+NH4]+ 289.191053 181.1
[M+K]+ 310.120388 161.4
[M+H-H2O]+ 254.154490 152.1
[M+HCOO]- 316.155431 169.4
[M+CH3COO]- 330.171081 170.2
[M+Na-2H]- 292.131896 165.5
[M]+ 271.15668142 157.1
[M]- 271.15777858 157.1
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

patents stripe