CID 131751584

8-o-methyloblongine

Structural Information

Molecular Formula
C20H26NO3
SMILES
C[N+]1(CCC2=C(C1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)OC)C
InChI
InChI=1S/C20H25NO3/c1-21(2)12-11-15-7-10-18(23-3)20(24-4)19(15)17(21)13-14-5-8-16(22)9-6-14/h5-10,17H,11-13H2,1-4H3/p+1
InChIKey
QZJMBSSODVCTRD-UHFFFAOYSA-O
Compound name
4-[(7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.19125 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19853 177.8
[M+Na]+ 351.18047 194.7
[M+NH4]+ 346.22507 188.6
[M+K]+ 367.15441 185.0
[M-H]- 327.18397 184.0
[M+Na-2H]- 349.16592 186.8
[M]+ 328.19070 182.7
[M]- 328.19180 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.