CID 209426

3,9,10-trimethoxyberbine

Structural Information

Molecular Formula
C20H23NO3
SMILES
COC1=CC2=C(C=C1)C3CC4=C(CN3CC2)C(=C(C=C4)OC)OC
InChI
InChI=1S/C20H23NO3/c1-22-15-5-6-16-14(10-15)8-9-21-12-17-13(11-18(16)21)4-7-19(23-2)20(17)24-3/h4-7,10,18H,8-9,11-12H2,1-3H3
InChIKey
UPXYTXFSZSYUNV-UHFFFAOYSA-N
Compound name
3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

literature stripe

Patent stripe

patents stripe