CID 5360696

Dextromethorphan

Structural Information

Molecular Formula
C18H25NO
SMILES
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC
InChI
InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
InChIKey
MKXZASYAUGDDCJ-NJAFHUGGSA-N
Compound name
(1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2633
References

52541
Patents

271.1936 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 166.0
[M+Na]+ 294.18282 170.9
[M-H]- 270.18632 169.4
[M+NH4]+ 289.22742 185.4
[M+K]+ 310.15676 166.2
[M+H-H2O]+ 254.19086 156.5
[M+HCOO]- 316.19180 177.5
[M+CH3COO]- 330.20745 175.5
[M+Na-2H]- 292.16827 170.4
[M]+ 271.19305 160.6
[M]- 271.19415 160.6
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

No patent data available for this compound.