CID 53068

1,2,9,10-tetramethoxy-6a-alpha-aporphine-3-methanol hydrochloride

Structural Information

Molecular Formula
C22H27NO5
SMILES
CN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC)CO
InChI
InChI=1S/C22H27NO5/c1-23-7-6-13-15(11-24)21(27-4)22(28-5)20-14-10-18(26-3)17(25-2)9-12(14)8-16(23)19(13)20/h9-10,16,24H,6-8,11H2,1-5H3/t16-/m0/s1
InChIKey
FRSRMZNTUGSNRW-INIZCTEOSA-N
Compound name
[(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.18893 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19621 193.1
[M+Na]+ 408.17815 207.2
[M+NH4]+ 403.22275 200.8
[M+K]+ 424.15209 199.6
[M-H]- 384.18165 195.3
[M+Na-2H]- 406.16360 194.4
[M]+ 385.18838 195.8
[M]- 385.18948 195.8
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

No patent data available for this compound.