CID 53073

6a,7-didehydro-7-methyl-1,2,9,10-tetramethoxyaporphine 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

1
Patents

367.17834 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 188.5
[M+Na]+ 390.16756 205.6
[M+NH4]+ 385.21216 197.3
[M+K]+ 406.14150 196.6
[M-H]- 366.17106 192.2
[M+Na-2H]- 388.15301 192.7
[M]+ 367.17779 192.4
[M]- 367.17889 192.4
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