CID 204609

2,3,10-trimethoxyberbine

Structural Information

Molecular Formula
C20H23NO3
SMILES
COC1=CC2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1
InChI
InChI=1S/C20H23NO3/c1-22-16-5-4-13-9-18-17-11-20(24-3)19(23-2)10-14(17)6-7-21(18)12-15(13)8-16/h4-5,8,10-11,18H,6-7,9,12H2,1-3H3
InChIKey
PTCKGHZCUIQESU-UHFFFAOYSA-N
Compound name
2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

325.1678 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 176.9
[M+Na]+ 348.15702 184.4
[M-H]- 324.16052 181.1
[M+NH4]+ 343.20162 192.8
[M+K]+ 364.13096 180.0
[M+H-H2O]+ 308.16506 167.4
[M+HCOO]- 370.16600 191.5
[M+CH3COO]- 384.18165 186.9
[M+Na-2H]- 346.14247 181.7
[M]+ 325.16725 178.7
[M]- 325.16835 178.7
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

patents stripe