CID 16538

Metofoline

Structural Information

Molecular Formula
C20H24ClNO2
SMILES
CN1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)OC)OC
InChI
InChI=1S/C20H24ClNO2/c1-22-11-10-15-12-19(23-2)20(24-3)13-17(15)18(22)9-6-14-4-7-16(21)8-5-14/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3
InChIKey
YBCPYHQFUMNOJG-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1659
Patents

345.14957 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15685 182.0
[M+Na]+ 368.13879 198.5
[M+NH4]+ 363.18339 191.2
[M+K]+ 384.11273 188.4
[M-H]- 344.14229 187.3
[M+Na-2H]- 366.12424 189.4
[M]+ 345.14902 186.4
[M]- 345.15012 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe