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

4
Patents

257.17798 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.185256 161.5
[M+Na]+ 280.167198 165.5
[M-H]- 256.170704 163.3
[M+NH4]+ 275.211803 180.4
[M+K]+ 296.141138 160.1
[M+H-H2O]+ 240.175240 152.4
[M+HCOO]- 302.176181 171.9
[M+CH3COO]- 316.191831 170.4
[M+Na-2H]- 278.152646 166.8
[M]+ 257.17743142 153.7
[M]- 257.17852858 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

patents stripe