CID 30133

Norapomorphine hydrochloride

Structural Information

Molecular Formula
C16H15NO2
SMILES
C1CN[C@@H]2CC3=C(C4=CC=CC1=C24)C(=C(C=C3)O)O
InChI
InChI=1S/C16H15NO2/c18-13-5-4-10-8-12-14-9(6-7-17-12)2-1-3-11(14)15(10)16(13)19/h1-5,12,17-19H,6-8H2/t12-/m1/s1
InChIKey
MHPQCGZBAVXCGA-GFCCVEGCSA-N
Compound name
(6aR)-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

96
Patents

253.11028 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 156.3
[M+Na]+ 276.09950 170.8
[M+NH4]+ 271.14410 166.2
[M+K]+ 292.07344 162.8
[M-H]- 252.10300 159.0
[M+Na-2H]- 274.08495 160.4
[M]+ 253.10973 159.2
[M]- 253.11083 159.2
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