CID 838674

Noraporphine-10,11-diol, 6-allyl-, dimer, hydrochloride

Structural Information

Molecular Formula
C19H19NO2
SMILES
C=CCN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O
InChI
InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m1/s1
InChIKey
XEXUKNQDDPKEIF-OAHLLOKOSA-N
Compound name
(6aR)-6-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

8
Patents

293.14157 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 168.9
[M+Na]+ 316.13079 176.5
[M-H]- 292.13429 170.0
[M+NH4]+ 311.17539 185.2
[M+K]+ 332.10473 169.6
[M+H-H2O]+ 276.13883 160.9
[M+HCOO]- 338.13977 181.0
[M+CH3COO]- 352.15542 178.4
[M+Na-2H]- 314.11624 174.0
[M]+ 293.14102 166.8
[M]- 293.14212 166.8
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.