CID 10653

13407-95-9

Structural Information

Molecular Formula

C₂₁H₂₅NO₄

SMILES

COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC

InChI

InChI=1S/C21H25NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h8-11,17H,5-7,12H2,1-4H3

InChIKey

YOAUKNYXWBTMMF-UHFFFAOYSA-N

Compound name

2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 55
Patents: 355.17834 Da
Monoisotopic Mass: 3.2
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]+	356.185616	184.9
[M+Na]+	378.167558	192.5
[M-H]-	354.171064	189.2
[M+NH4]+	373.212163	199.7
[M+K]+	394.141498	188.8
[M+H-H2O]+	338.175600	175.2
[M+HCOO]-	400.176541	199.2
[M+CH3COO]-	414.192191	219.4
[M+Na-2H]-	376.153006	188.6
[M]+	355.17779142	188.9
[M]-	355.17888858	188.9

Literature stripe

literature stripe

Patent stripe

patents stripe