CID 3042685

3,15-dimethoxyerythrinan

Structural Information

Molecular Formula
C18H23NO2
SMILES
CO[C@@H]1CC23[C@H](CCN2CCC4=C3C=C(C=C4)OC)C=C1
InChI
InChI=1S/C18H23NO2/c1-20-15-5-3-13-7-9-19-10-8-14-4-6-16(21-2)12-18(14,19)17(13)11-15/h3-6,11,14,16H,7-10,12H2,1-2H3/t14-,16-,18?/m0/s1
InChIKey
FWXCNFQLKQCXQP-CCLCZBONSA-N
Compound name
(2R,4aR)-2,12-dimethoxy-2,4a,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 168.4
[M+Na]+ 308.16210 175.1
[M-H]- 284.16560 173.0
[M+NH4]+ 303.20670 189.2
[M+K]+ 324.13604 170.6
[M+H-H2O]+ 268.17014 160.0
[M+HCOO]- 330.17108 183.5
[M+CH3COO]- 344.18673 179.1
[M+Na-2H]- 306.14755 172.0
[M]+ 285.17233 167.1
[M]- 285.17343 167.1
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.