CID 58994

6a-alpha-noraporphin-9-ol, 6-(2-morpholinoethyl)-1,2,10-trimethoxy-, monohydrochloride

Structural Information

Molecular Formula
C25H32N2O5
SMILES
COC1=C(C2=C3[C@H](CC4=C2C(=C(C=C4)O)OC)N(CCC3=C1)CCN5CCOCC5)OC
InChI
InChI=1S/C25H32N2O5/c1-29-20-15-17-6-7-27(9-8-26-10-12-32-13-11-26)18-14-16-4-5-19(28)24(30-2)22(16)23(21(17)18)25(20)31-3/h4-5,15,18,28H,6-14H2,1-3H3/t18-/m0/s1
InChIKey
IIJMSJNYTPAROI-SFHVURJKSA-N
Compound name
(6aS)-1,2,11-trimethoxy-6-(2-morpholin-4-ylethyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.2311 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.23838 209.6
[M+Na]+ 463.22032 213.7
[M-H]- 439.22382 212.9
[M+NH4]+ 458.26492 216.9
[M+K]+ 479.19426 210.3
[M+H-H2O]+ 423.22836 197.2
[M+HCOO]- 485.22930 215.6
[M+CH3COO]- 499.24495 215.3
[M+Na-2H]- 461.20577 210.2
[M]+ 440.23055 210.8
[M]- 440.23165 210.8
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.