CID 620851

Nordextromethorphan

Structural Information

Molecular Formula
C17H23NO
SMILES
COC1=CC2=C(C=C1)C34CCCCC3C(C2)NCC4
InChI
InChI=1S/C17H23NO/c1-19-13-5-6-14-12(10-13)11-16-15-4-2-3-7-17(14,15)8-9-18-16/h5-6,10,15-16,18H,2-4,7-9,11H2,1H3
InChIKey
PDMHIEDETZUMJB-UHFFFAOYSA-N
Compound name
5-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 161.5
[M+Na]+ 280.16720 165.5
[M-H]- 256.17070 163.3
[M+NH4]+ 275.21180 180.4
[M+K]+ 296.14114 160.1
[M+H-H2O]+ 240.17524 152.4
[M+HCOO]- 302.17618 171.9
[M+CH3COO]- 316.19183 170.4
[M+Na-2H]- 278.15265 166.8
[M]+ 257.17743 153.7
[M]- 257.17853 153.7
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.