CID 10317002

7-hydroxydehydroglaucine

Structural Information

Molecular Formula

C₂₁H₂₃NO₅

SMILES

CN1CCC2=CC(=C(C3=C2C1=C(C4=CC(=C(C=C43)OC)OC)O)OC)OC

InChI

InChI=1S/C21H23NO5/c1-22-7-6-11-8-16(26-4)21(27-5)18-12-9-14(24-2)15(25-3)10-13(12)20(23)19(22)17(11)18/h8-10,23H,6-7H2,1-5H3

InChIKey

XTYGTYHSWAJTPX-UHFFFAOYSA-N

Compound name

4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 369.15762 Da
Monoisotopic Mass: 4.1
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]+	370.164896	188.9
[M+Na]+	392.146838	199.3
[M-H]-	368.150344	192.7
[M+NH4]+	387.191443	203.3
[M+K]+	408.120778	195.8
[M+H-H2O]+	352.154880	179.7
[M+HCOO]-	414.155821	204.4
[M+CH3COO]-	428.171471	222.5
[M+Na-2H]-	390.132286	193.2
[M]+	369.15707142	198.1
[M]-	369.15816858	198.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.