CID 407139

Isomethadone ketimine

Structural Information

Molecular Formula
C21H28N2
SMILES
CCC(=N)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C
InChI
InChI=1S/C21H28N2/c1-5-20(22)21(17(2)16-23(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,22H,5,16H2,1-4H3
InChIKey
PGAKPLYJBQKVSR-UHFFFAOYSA-N
Compound name
4-imino-N,N,2-trimethyl-3,3-diphenylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.22525 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 179.9
[M+Na]+ 331.21447 191.0
[M+NH4]+ 326.25907 187.9
[M+K]+ 347.18841 183.7
[M-H]- 307.21797 185.3
[M+Na-2H]- 329.19992 188.5
[M]+ 308.22470 183.1
[M]- 308.22580 183.1
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