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]+ 357.18088 187.2
[M+Na]+ 379.16282 195.5
[M-H]- 355.16632 195.7
[M+NH4]+ 374.20742 200.3
[M+K]+ 395.13676 199.1
[M+H-H2O]+ 339.17086 183.7
[M+HCOO]- 401.17180 205.6
[M+CH3COO]- 415.18745 227.5
[M+Na-2H]- 377.14827 188.9
[M]+ 356.17305 187.0
[M]- 356.17415 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.