CID 216077

1-hydroxy-2-methoxy-n-propargylnoraporphine

Structural Information

Molecular Formula
C20H19NO2
SMILES
COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)N(CCC3=C1)CC#C)O
InChI
InChI=1S/C20H19NO2/c1-3-9-21-10-8-14-12-17(23-2)20(22)19-15-7-5-4-6-13(15)11-16(21)18(14)19/h1,4-7,12,16,22H,8-11H2,2H3/t16-/m1/s1
InChIKey
LNZLRNRNWKEJQC-MRXNPFEDSA-N
Compound name
(6aR)-2-methoxy-6-prop-2-ynyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.14157 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.148846 174.6
[M+Na]+ 328.130788 185.7
[M-H]- 304.134294 175.1
[M+NH4]+ 323.175393 189.2
[M+K]+ 344.104728 174.7
[M+H-H2O]+ 288.138830 161.0
[M+HCOO]- 350.139771 183.0
[M+CH3COO]- 364.155421 182.8
[M+Na-2H]- 326.116236 178.1
[M]+ 305.14102142 169.1
[M]- 305.14211858 169.1
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