CID 60769

Binospirone

Structural Information

Molecular Formula
C20H26N2O4
SMILES
C1CCC2(C1)CC(=O)N(C(=O)C2)CCNCC3COC4=CC=CC=C4O3
InChI
InChI=1S/C20H26N2O4/c23-18-11-20(7-3-4-8-20)12-19(24)22(18)10-9-21-13-15-14-25-16-5-1-2-6-17(16)26-15/h1-2,5-6,15,21H,3-4,7-14H2
InChIKey
BVMYCHKQPGEOSI-UHFFFAOYSA-N
Compound name
8-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

37
References

622
Patents

358.18927 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.196546 184.4
[M+Na]+ 381.178488 187.8
[M-H]- 357.181994 192.0
[M+NH4]+ 376.223093 197.0
[M+K]+ 397.152428 185.6
[M+H-H2O]+ 341.186530 175.3
[M+HCOO]- 403.187471 197.2
[M+CH3COO]- 417.203121 192.9
[M+Na-2H]- 379.163936 186.2
[M]+ 358.18872142 180.0
[M]- 358.18981858 180.0
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