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 174.6
[M+Na]+ 328.13079 185.7
[M-H]- 304.13429 175.1
[M+NH4]+ 323.17539 189.2
[M+K]+ 344.10473 174.7
[M+H-H2O]+ 288.13883 161.0
[M+HCOO]- 350.13977 183.0
[M+CH3COO]- 364.15542 182.8
[M+Na-2H]- 326.11624 178.1
[M]+ 305.14102 169.1
[M]- 305.14212 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