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 205.0
[M+Na]+ 449.20470 211.6
[M-H]- 425.20820 208.5
[M+NH4]+ 444.24930 217.0
[M+K]+ 465.17864 208.7
[M+H-H2O]+ 409.21274 195.2
[M+HCOO]- 471.21368 218.3
[M+CH3COO]- 485.22933 239.0
[M+Na-2H]- 447.19015 206.0
[M]+ 426.21493 212.1
[M]- 426.21603 212.1
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.