CID 3035101

1,4-dimethyl-3-propan-2-yl-8-sulfanylidene-7,9-diazaspiro[4.5]decane-6,10-dione

Structural Information

Molecular Formula
C13H20N2O2S
SMILES
CC1CC(C(C12C(=O)NC(=S)NC2=O)C)C(C)C
InChI
InChI=1S/C13H20N2O2S/c1-6(2)9-5-7(3)13(8(9)4)10(16)14-12(18)15-11(13)17/h6-9H,5H2,1-4H3,(H2,14,15,16,17,18)
InChIKey
LKAKMHHOKWNYOJ-UHFFFAOYSA-N
Compound name
1,4-dimethyl-3-propan-2-yl-8-sulfanylidene-7,9-diazaspiro[4.5]decane-6,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.12454 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13182 161.1
[M+Na]+ 291.11376 168.8
[M-H]- 267.11726 161.4
[M+NH4]+ 286.15836 178.9
[M+K]+ 307.08770 163.7
[M+H-H2O]+ 251.12180 156.5
[M+HCOO]- 313.12274 168.4
[M+CH3COO]- 327.13839 193.3
[M+Na-2H]- 289.09921 156.4
[M]+ 268.12399 156.7
[M]- 268.12509 156.7
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.