CID 5492711

N-propargylnormorphine

Structural Information

Molecular Formula
C19H19NO3
SMILES
C#CCN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI
InChI=1S/C19H19NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h1,3-6,12-13,15,18,21-22H,7-10H2/t12-,13+,15-,18-,19-/m0/s1
InChIKey
NGOKGGHABHVRMX-SSTWWWIQSA-N
Compound name
(4R,4aR,7S,7aR,12bS)-3-prop-2-ynyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.1365 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 176.1
[M+Na]+ 332.12572 187.8
[M+NH4]+ 327.17032 182.9
[M+K]+ 348.09966 177.4
[M-H]- 308.12922 170.7
[M+Na-2H]- 330.11117 173.7
[M]+ 309.13595 175.6
[M]- 309.13705 175.6
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