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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.148846	168.9
[M+Na]+	316.130788	176.5
[M-H]-	292.134294	170.0
[M+NH4]+	311.175393	185.2
[M+K]+	332.104728	169.6
[M+H-H2O]+	276.138830	160.9
[M+HCOO]-	338.139771	181.0
[M+CH3COO]-	352.155421	178.4
[M+Na-2H]-	314.116236	174.0
[M]+	293.14102142	166.8
[M]-	293.14211858	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe