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

6
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 169.0
[M+Na]+ 316.13079 183.7
[M+NH4]+ 311.17539 178.4
[M+K]+ 332.10473 174.9
[M-H]- 292.13429 171.9
[M+Na-2H]- 314.11624 172.5
[M]+ 293.14102 172.0
[M]- 293.14212 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe