CID 266309

Nsc103738

Structural Information

Molecular Formula
C20H34N2O2
SMILES
CC(C)(C)C1CCC2(CC1)CC(=O)N(C(=O)C2)N3CCCCCC3
InChI
InChI=1S/C20H34N2O2/c1-19(2,3)16-8-10-20(11-9-16)14-17(23)22(18(24)15-20)21-12-6-4-5-7-13-21/h16H,4-15H2,1-3H3
InChIKey
ACYDSDBNAGTVSW-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-9-tert-butyl-3-azaspiro[5.5]undecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.26202 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.26930 183.2
[M+Na]+ 357.25124 183.5
[M-H]- 333.25474 187.6
[M+NH4]+ 352.29584 194.9
[M+K]+ 373.22518 183.4
[M+H-H2O]+ 317.25928 173.5
[M+HCOO]- 379.26022 190.2
[M+CH3COO]- 393.27587 210.2
[M+Na-2H]- 355.23669 181.6
[M]+ 334.26147 170.3
[M]- 334.26257 170.3
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.