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]+ 269.131816 161.1
[M+Na]+ 291.113758 168.8
[M-H]- 267.117264 161.4
[M+NH4]+ 286.158363 178.9
[M+K]+ 307.087698 163.7
[M+H-H2O]+ 251.121800 156.5
[M+HCOO]- 313.122741 168.4
[M+CH3COO]- 327.138391 193.3
[M+Na-2H]- 289.099206 156.4
[M]+ 268.12399142 156.7
[M]- 268.12508858 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.