CID 58992

6-(3-(dimethylamino)propyl)-1,2,10-trimethoxy-6a-alpha-noraporphin-9-ol hydrochloride

Structural Information

Molecular Formula
C24H32N2O4
SMILES
CN(C)CCCN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)O)OC)OC)OC
InChI
InChI=1S/C24H32N2O4/c1-25(2)10-6-11-26-12-9-16-14-19(28-3)24(30-5)22-20(16)17(26)13-15-7-8-18(27)23(29-4)21(15)22/h7-8,14,17,27H,6,9-13H2,1-5H3/t17-/m0/s1
InChIKey
NACFJDPNPPMLML-KRWDZBQOSA-N
Compound name
(6aS)-6-[3-(dimethylamino)propyl]-1,2,11-trimethoxy-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

412.2362 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 203.1
[M+Na]+ 435.22542 208.7
[M-H]- 411.22892 206.2
[M+NH4]+ 430.27002 215.5
[M+K]+ 451.19936 205.5
[M+H-H2O]+ 395.23346 193.1
[M+HCOO]- 457.23440 216.1
[M+CH3COO]- 471.25005 236.6
[M+Na-2H]- 433.21087 204.5
[M]+ 412.23565 209.1
[M]- 412.23675 209.1
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.