CID 5745382

54301-19-8

Structural Information

Molecular Formula
C17H20N4O3
SMILES
CN1CC[C@]23[C@@H]4[C@@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)N=[N+]=[N-]
InChI
InChI=1S/C17H20N4O3/c1-21-7-6-16-13-9-2-3-11(22)14(13)24-15(16)10(19-20-18)4-5-17(16,23)12(21)8-9/h2-3,10,12,15,22-23H,4-8H2,1H3/t10-,12-,15+,16+,17-/m1/s1
InChIKey
JFEYKPRCFIWFEW-BGMJHJHJSA-N
Compound name
(4R,4aS,7R,7aR,12bS)-7-azido-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.15353 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16081 171.8
[M+Na]+ 351.14275 182.3
[M+NH4]+ 346.18735 183.7
[M+K]+ 367.11669 175.9
[M-H]- 327.14625 177.3
[M+Na-2H]- 349.12820 174.3
[M]+ 328.15298 174.9
[M]- 328.15408 174.9
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