CID 3032986

6-propyl-1,2,10-trimethoxy-6a-alpha-noraporphin-9-ol hydrochloride

Structural Information

Molecular Formula
C22H27NO4
SMILES
CCCN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)O)OC)OC)OC
InChI
InChI=1S/C22H27NO4/c1-5-9-23-10-8-14-12-17(25-2)22(27-4)20-18(14)15(23)11-13-6-7-16(24)21(26-3)19(13)20/h6-7,12,15,24H,5,8-11H2,1-4H3/t15-/m0/s1
InChIKey
KPEAMLAIXNSJJC-HNNXBMFYSA-N
Compound name
(6aS)-1,2,11-trimethoxy-6-propyl-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

369.194 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 189.9
[M+Na]+ 392.18322 204.2
[M+NH4]+ 387.22782 198.2
[M+K]+ 408.15716 195.8
[M-H]- 368.18672 192.5
[M+Na-2H]- 390.16867 191.9
[M]+ 369.19345 192.8
[M]- 369.19455 192.8
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.