CID 105104

U-69593

Structural Information

Molecular Formula
C22H32N2O2
SMILES
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC=CC=C4
InChI
InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
InChIKey
PGZRDDYTKFZSFR-ONTIZHBOSA-N
Compound name
N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

537
References

588
Patents

356.24637 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.253646 189.5
[M+Na]+ 379.235588 189.6
[M-H]- 355.239094 199.7
[M+NH4]+ 374.280193 204.3
[M+K]+ 395.209528 187.6
[M+H-H2O]+ 339.243630 180.2
[M+HCOO]- 401.244571 204.2
[M+CH3COO]- 415.260221 197.6
[M+Na-2H]- 377.221036 185.4
[M]+ 356.24582142 182.2
[M]- 356.24691858 182.2
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