CID 5019

2,10,11-trihydroxy-n-n-propylnoraporphine

Structural Information

Molecular Formula
C19H21NO3
SMILES
CCCN1CCC2=C3C1CC4=C(C3=CC(=C2)O)C(=C(C=C4)O)O
InChI
InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3
InChIKey
HLRBSTGXOFUEHW-UHFFFAOYSA-N
Compound name
6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

24
Patents

311.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 173.4
[M+Na]+ 334.14135 187.5
[M+NH4]+ 329.18595 182.2
[M+K]+ 350.11529 179.7
[M-H]- 310.14485 175.6
[M+Na-2H]- 332.12680 175.7
[M]+ 311.15158 176.1
[M]- 311.15268 176.1
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