CID 157218

Anomurine

Structural Information

Molecular Formula

C₂₀H₂₅NO₄

SMILES

COC1=CC=C(C=C1)CC2C3=CC(=C(C(=C3CCN2)OC)OC)OC

InChI

InChI=1S/C20H25NO4/c1-22-14-7-5-13(6-8-14)11-17-16-12-18(23-2)20(25-4)19(24-3)15(16)9-10-21-17/h5-8,12,17,21H,9-11H2,1-4H3

InChIKey

CMQSBRRTRZPLHE-UHFFFAOYSA-N

Compound name

5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 343.17834 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]+	344.18562	182.8
[M+Na]+	366.16756	189.6
[M-H]-	342.17106	187.4
[M+NH4]+	361.21216	195.4
[M+K]+	382.14150	185.7
[M+H-H2O]+	326.17560	173.4
[M+HCOO]-	388.17654	199.7
[M+CH3COO]-	402.19219	212.7
[M+Na-2H]-	364.15301	184.8
[M]+	343.17779	186.0
[M]-	343.17889	186.0

Literature stripe

literature stripe

Patent stripe

patents stripe