CID 3033141

N-propargylnorapomorphine hydrochloride

Structural Information

Molecular Formula
C19H17NO2
SMILES
C#CCN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O
InChI
InChI=1S/C19H17NO2/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/h1,3-7,15,21-22H,8-11H2/t15-/m1/s1
InChIKey
LQKHDDWDHXQNDR-OAHLLOKOSA-N
Compound name
(6aR)-6-prop-2-ynyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.12592 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13320 171.9
[M+Na]+ 314.11514 183.0
[M-H]- 290.11864 171.3
[M+NH4]+ 309.15974 186.3
[M+K]+ 330.08908 171.6
[M+H-H2O]+ 274.12318 158.9
[M+HCOO]- 336.12412 179.3
[M+CH3COO]- 350.13977 179.8
[M+Na-2H]- 312.10059 175.4
[M]+ 291.12537 164.6
[M]- 291.12647 164.6
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.