CID 11848225

Cebranopadol

Structural Information

Molecular Formula
C24H27FN2O
SMILES
CN(C)C1(CCC2(CC1)C3=C(CCO2)C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3
InChIKey
CSMVOZKEWSOFER-UHFFFAOYSA-N
Compound name
6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

44
References

510
Patents

378.21075 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21803 192.5
[M+Na]+ 401.19997 205.8
[M+NH4]+ 396.24457 204.5
[M+K]+ 417.17391 194.8
[M-H]- 377.20347 199.5
[M+Na-2H]- 399.18542 201.0
[M]+ 378.21020 196.8
[M]- 378.21130 196.8
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

patents stripe