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

7
Patents

271.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 160.6
[M+Na]+ 294.14645 165.7
[M-H]- 270.14995 163.0
[M+NH4]+ 289.19105 181.1
[M+K]+ 310.12039 161.4
[M+H-H2O]+ 254.15449 152.1
[M+HCOO]- 316.15543 169.4
[M+CH3COO]- 330.17108 170.2
[M+Na-2H]- 292.13190 165.5
[M]+ 271.15668 157.1
[M]- 271.15778 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