CID 271325

Dl-6'-bromolaudanosine

Structural Information

Molecular Formula
C21H26BrNO4
SMILES
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3Br)OC)OC)OC)OC
InChI
InChI=1S/C21H26BrNO4/c1-23-7-6-13-9-18(24-2)20(26-4)11-15(13)17(23)8-14-10-19(25-3)21(27-5)12-16(14)22/h9-12,17H,6-8H2,1-5H3
InChIKey
LGEHGMJWQAKLLI-UHFFFAOYSA-N
Compound name
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

435.10452 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.11180 196.9
[M+Na]+ 458.09374 207.5
[M-H]- 434.09724 205.3
[M+NH4]+ 453.13834 210.7
[M+K]+ 474.06768 196.7
[M+H-H2O]+ 418.10178 193.7
[M+HCOO]- 480.10272 212.4
[M+CH3COO]- 494.11837 227.7
[M+Na-2H]- 456.07919 198.1
[M]+ 435.10397 221.0
[M]- 435.10507 221.0
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

No patent data available for this compound.