CID 45316

Methyldesacetylcolchaminone [french]

Structural Information

Molecular Formula
C20H24N2O4
SMILES
CNC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N
InChI
InChI=1S/C20H24N2O4/c1-22-15-8-6-12-13(10-16(15)23)14(21)7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12/h6,8-10,14H,5,7,21H2,1-4H3,(H,22,23)
InChIKey
LAQDWSHXWXOTDO-UHFFFAOYSA-N
Compound name
7-amino-1,2,3-trimethoxy-10-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.180876 187.2
[M+Na]+ 379.162818 195.5
[M-H]- 355.166324 195.7
[M+NH4]+ 374.207423 200.3
[M+K]+ 395.136758 199.1
[M+H-H2O]+ 339.170860 183.7
[M+HCOO]- 401.171801 205.6
[M+CH3COO]- 415.187451 227.5
[M+Na-2H]- 377.148266 188.9
[M]+ 356.17305142 187.0
[M]- 356.17414858 187.0
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.