CID 3058111

Acetamide, n-((1,2,9,10-tetramethoxy-6a-alpha-aporphin-3-yl)methyl)-, hydrochloride

Structural Information

Molecular Formula
C24H30N2O5
SMILES
CC(=O)NCC1=C2CCN([C@@H]3C2=C(C4=CC(=C(C=C4C3)OC)OC)C(=C1OC)OC)C
InChI
InChI=1S/C24H30N2O5/c1-13(27)25-12-17-15-7-8-26(2)18-9-14-10-19(28-3)20(29-4)11-16(14)22(21(15)18)24(31-6)23(17)30-5/h10-11,18H,7-9,12H2,1-6H3,(H,25,27)/t18-/m0/s1
InChIKey
AGQOZBZKAYWJLK-SFHVURJKSA-N
Compound name
N-[[(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.21548 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.22276 203.9
[M+Na]+ 449.20470 216.5
[M+NH4]+ 444.24930 210.6
[M+K]+ 465.17864 209.3
[M-H]- 425.20820 206.3
[M+Na-2H]- 447.19015 204.6
[M]+ 426.21493 206.3
[M]- 426.21603 206.3
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.