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

36
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 174.0
[M+Na]+ 334.14135 181.6
[M-H]- 310.14485 174.1
[M+NH4]+ 329.18595 189.1
[M+K]+ 350.11529 175.3
[M+H-H2O]+ 294.14939 166.3
[M+HCOO]- 356.15033 184.5
[M+CH3COO]- 370.16598 182.9
[M+Na-2H]- 332.12680 178.0
[M]+ 311.15158 172.8
[M]- 311.15268 172.8
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