CID 3032727

N-ethylnorapomorphine hydrochloride

Structural Information

Molecular Formula
C18H19NO2
SMILES
CCN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O
InChI
InChI=1S/C18H19NO2/c1-2-19-9-8-11-4-3-5-13-16(11)14(19)10-12-6-7-15(20)18(21)17(12)13/h3-7,14,20-21H,2,8-10H2,1H3/t14-/m1/s1
InChIKey
YPNFSVPDCPRGIG-CQSZACIVSA-N
Compound name
(6aR)-6-ethyl-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

1
Patents

281.14157 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 165.6
[M+Na]+ 304.13079 173.4
[M-H]- 280.13429 166.9
[M+NH4]+ 299.17539 182.4
[M+K]+ 320.10473 167.2
[M+H-H2O]+ 264.13883 157.7
[M+HCOO]- 326.13977 177.9
[M+CH3COO]- 340.15542 175.5
[M+Na-2H]- 302.11624 171.1
[M]+ 281.14102 163.9
[M]- 281.14212 163.9
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

patents stripe