CID 433668

N-methyldemecolcine methiodide

Structural Information

Molecular Formula
C23H30NO5
SMILES
C[N+](C)(C)C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI
InChI=1S/C23H30NO5/c1-24(2,3)17-10-8-14-12-20(27-5)22(28-6)23(29-7)21(14)15-9-11-19(26-4)18(25)13-16(15)17/h9,11-13,17H,8,10H2,1-7H3/q+1
InChIKey
OLIFELOHIWMTQA-UHFFFAOYSA-N
Compound name
trimethyl-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2124 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.21968 197.9
[M+Na]+ 423.20162 205.9
[M-H]- 399.20512 207.7
[M+NH4]+ 418.24622 210.5
[M+K]+ 439.17556 205.6
[M+H-H2O]+ 383.20966 197.2
[M+HCOO]- 445.21060 214.7
[M+CH3COO]- 459.22625 228.9
[M+Na-2H]- 421.18707 201.9
[M]+ 400.21185 200.4
[M]- 400.21295 200.4
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.