CID 24798598

Lexanopadol

Structural Information

Molecular Formula
C23H25FN2O
SMILES
CNC1(CCC2(CC1)C3=C(CCO2)C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C23H25FN2O/c1-25-22(16-5-3-2-4-6-16)10-12-23(13-11-22)21-18(9-14-27-23)19-15-17(24)7-8-20(19)26-21/h2-8,15,25-26H,9-14H2,1H3
InChIKey
AMXGKMSRYLZAEO-UHFFFAOYSA-N
Compound name
6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

364.1951 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.202376 186.4
[M+Na]+ 387.184318 193.8
[M-H]- 363.187824 193.1
[M+NH4]+ 382.228923 202.9
[M+K]+ 403.158258 186.7
[M+H-H2O]+ 347.192360 175.1
[M+HCOO]- 409.193301 199.9
[M+CH3COO]- 423.208951 195.3
[M+Na-2H]- 385.169766 190.8
[M]+ 364.19455142 180.2
[M]- 364.19564858 180.2
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