CID 30358

Menisperine chloride

Structural Information

Molecular Formula
C21H26NO4
SMILES
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C
InChI
InChI=1S/C21H25NO4/c1-22(2)9-8-13-11-16(25-4)21(26-5)19-17(13)14(22)10-12-6-7-15(24-3)20(23)18(12)19/h6-7,11,14H,8-10H2,1-5H3/p+1
InChIKey
XQINTCORIZHGFD-UHFFFAOYSA-O
Compound name
1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

35
Patents

356.1862 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19348 183.3
[M+Na]+ 379.17542 200.2
[M+NH4]+ 374.22002 194.7
[M+K]+ 395.14936 190.6
[M-H]- 355.17892 187.9
[M+Na-2H]- 377.16087 188.4
[M]+ 356.18565 187.8
[M]- 356.18675 187.8
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

patents stripe