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
2
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]+ 338.142046 175.0
[M+Na]+ 360.123988 180.1
[M-H]- 336.127494 176.8
[M+NH4]+ 355.168593 191.3
[M+K]+ 376.097928 176.2
[M+H-H2O]+ 320.132030 167.7
[M+HCOO]- 382.132971 179.9
[M+CH3COO]- 396.148621 183.3
[M+Na-2H]- 358.109436 180.4
[M]+ 337.13422142 173.3
[M]- 337.13531858 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.