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 180.3
[M+Na]+ 351.18047 188.1
[M-H]- 327.18397 185.5
[M+NH4]+ 346.22507 195.6
[M+K]+ 367.15441 177.9
[M+H-H2O]+ 311.18851 174.4
[M+HCOO]- 373.18945 196.5
[M+CH3COO]- 387.20510 203.1
[M+Na-2H]- 349.16592 185.6
[M]+ 328.19070 180.7
[M]- 328.19180 180.7
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.