CID 1275593

Chebi:194514

Structural Information

Molecular Formula
C22H28NO4
SMILES
C[N@@+]12CCC3=CC(=C(C=C3[C@@H]1CC4=C(C2)C(=C(C=C4)OC)OC)OC)OC
InChI
InChI=1S/C22H28NO4/c1-23-9-8-15-11-20(25-3)21(26-4)12-16(15)18(23)10-14-6-7-19(24-2)22(27-5)17(14)13-23/h6-7,11-12,18H,8-10,13H2,1-5H3/q+1/t18-,23-/m0/s1
InChIKey
BMQBFTBKHPYZFM-MBSDFSHPSA-N
Compound name
(7S,13aS)-2,3,9,10-tetramethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.20184 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20912 188.2
[M+Na]+ 393.19106 205.0
[M+NH4]+ 388.23566 199.7
[M+K]+ 409.16500 194.8
[M-H]- 369.19456 193.7
[M+Na-2H]- 391.17651 194.2
[M]+ 370.20129 192.9
[M]- 370.20239 192.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.