CID 53073

Aporphine, 6a,7-didehydro-7-methyl-1,2,9,10-tetramethoxy-, hydrochloride

Structural Information

Molecular Formula
C22H25NO4
SMILES
CC1=C2C3=C(C4=CC(=C(C=C14)OC)OC)C(=C(C=C3CCN2C)OC)OC
InChI
InChI=1S/C22H25NO4/c1-12-14-10-16(24-3)17(25-4)11-15(14)20-19-13(7-8-23(2)21(12)19)9-18(26-5)22(20)27-6/h9-11H,7-8H2,1-6H3
InChIKey
RBCAXOSUUINIHP-UHFFFAOYSA-N
Compound name
4,5,15,16-tetramethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

367.17834 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.185616 190.6
[M+Na]+ 390.167558 201.3
[M-H]- 366.171064 195.6
[M+NH4]+ 385.212163 205.9
[M+K]+ 406.141498 197.5
[M+H-H2O]+ 350.175600 181.0
[M+HCOO]- 412.176541 207.2
[M+CH3COO]- 426.192191 225.4
[M+Na-2H]- 388.153006 194.5
[M]+ 367.17779142 200.4
[M]- 367.17888858 200.4
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