CID 434191

Methoxidine

Structural Information

Molecular Formula

C₂₃H₂₄NO₅

SMILES

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)OC)OC)OC)OC)OC

InChI

InChI=1S/C23H24NO5/c1-24-12-13-7-19(26-3)20(27-4)8-14(13)16-10-18(25-2)15-9-21(28-5)22(29-6)11-17(15)23(16)24/h7-12H,1-6H3/q+1

InChIKey

MLLHUSYLRTXCCA-UHFFFAOYSA-N

Compound name

2,3,8,9,12-pentamethoxy-5-methylbenzo[c]phenanthridin-5-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 394.16544 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	395.17272	199.7
[M+Na]+	417.15466	211.2
[M-H]-	393.15816	206.2
[M+NH4]+	412.19926	213.2
[M+K]+	433.12860	202.1
[M+H-H2O]+	377.16270	191.9
[M+HCOO]-	439.16364	218.3
[M+CH3COO]-	453.17929	221.8
[M+Na-2H]-	415.14011	206.9
[M]+	394.16489	210.7
[M]-	394.16599	210.7

Literature stripe

literature stripe

Patent stripe

patents stripe