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]+ 306.14885 176.9
[M+Na]+ 328.13079 191.3
[M+NH4]+ 323.17539 182.7
[M+K]+ 344.10473 179.2
[M-H]- 304.13429 172.0
[M+Na-2H]- 326.11624 177.5
[M]+ 305.14102 177.0
[M]- 305.14212 177.0
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