CID 216076

1-hydroxy-2-methoxy-n-allylnoraporphine

Structural Information

Molecular Formula
C20H21NO2
SMILES
COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)N(CCC3=C1)CC=C)O
InChI
InChI=1S/C20H21NO2/c1-3-9-21-10-8-14-12-17(23-2)20(22)19-15-7-5-4-6-13(15)11-16(21)18(14)19/h3-7,12,16,22H,1,8-11H2,2H3/t16-/m1/s1
InChIKey
QFUIHTVMGXACOG-MRXNPFEDSA-N
Compound name
(6aR)-2-methoxy-6-prop-2-enyl-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

307.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 173.5
[M+Na]+ 330.14645 181.0
[M-H]- 306.14995 175.7
[M+NH4]+ 325.19105 189.8
[M+K]+ 346.12039 174.6
[M+H-H2O]+ 290.15449 164.8
[M+HCOO]- 352.15543 186.7
[M+CH3COO]- 366.17108 183.1
[M+Na-2H]- 328.13190 178.3
[M]+ 307.15668 173.4
[M]- 307.15778 173.4
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.