CID 169502207

Dextrorphan-sulfate

Structural Information

Molecular Formula
C17H23NO4S
SMILES
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OS(=O)(=O)O
InChI
InChI=1S/C17H23NO4S/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(11-15(12)17)22-23(19,20)21/h5-6,11,14,16H,2-4,7-10H2,1H3,(H,19,20,21)/t14-,16+,17+/m1/s1
InChIKey
WVXRTBLFQVXOLU-PVAVHDDUSA-N
Compound name
[(1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.13477 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14205 174.7
[M+Na]+ 360.12399 185.1
[M+NH4]+ 355.16859 184.4
[M+K]+ 376.09793 175.4
[M-H]- 336.12749 176.0
[M+Na-2H]- 358.10944 178.6
[M]+ 337.13422 177.1
[M]- 337.13532 177.1
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

No patent data available for this compound.