CID 216073

Noraporphin-1-ol, 6-ethyl-2-methoxy-

Structural Information

Molecular Formula
C19H21NO2
SMILES
CCN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)O)OC
InChI
InChI=1S/C19H21NO2/c1-3-20-9-8-13-11-16(22-2)19(21)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15,21H,3,8-10H2,1-2H3/t15-/m1/s1
InChIKey
DHJXQWPYVDZUOC-OAHLLOKOSA-N
Compound name
(6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 170.2
[M+Na]+ 318.14645 177.9
[M-H]- 294.14995 172.6
[M+NH4]+ 313.19105 187.1
[M+K]+ 334.12039 172.3
[M+H-H2O]+ 278.15449 161.6
[M+HCOO]- 340.15543 183.6
[M+CH3COO]- 354.17108 180.2
[M+Na-2H]- 316.13190 175.5
[M]+ 295.15668 170.4
[M]- 295.15778 170.4
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.