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

613
Patents

358.18927 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19655 184.4
[M+Na]+ 381.17849 187.8
[M-H]- 357.18199 192.0
[M+NH4]+ 376.22309 197.0
[M+K]+ 397.15243 185.6
[M+H-H2O]+ 341.18653 175.3
[M+HCOO]- 403.18747 197.2
[M+CH3COO]- 417.20312 192.9
[M+Na-2H]- 379.16394 186.2
[M]+ 358.18872 180.0
[M]- 358.18982 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.