CID 209425

2,3,9,10-tetramethoxy-11-methylberbine [french]

Structural Information

Molecular Formula
C22H27NO4
SMILES
CC1=CC2=C(CN3CCC4=CC(=C(C=C4C3C2)OC)OC)C(=C1OC)OC
InChI
InChI=1S/C22H27NO4/c1-13-8-15-9-18-16-11-20(25-3)19(24-2)10-14(16)6-7-23(18)12-17(15)22(27-5)21(13)26-4/h8,10-11,18H,6-7,9,12H2,1-5H3
InChIKey
UFFXXAAMESJFNM-UHFFFAOYSA-N
Compound name
2,3,9,10-tetramethoxy-11-methyl-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

369.194 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 190.1
[M+Na]+ 392.18322 198.1
[M-H]- 368.18672 194.5
[M+NH4]+ 387.22782 204.5
[M+K]+ 408.15716 194.3
[M+H-H2O]+ 352.19126 180.4
[M+HCOO]- 414.19220 203.9
[M+CH3COO]- 428.20785 223.7
[M+Na-2H]- 390.16867 192.5
[M]+ 369.19345 194.8
[M]- 369.19455 194.8
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