CID 3050924

67196-43-4

Structural Information

Molecular Formula
C12H16N2O2S
SMILES
CCCC1CC=CCC12C(=O)NC(=S)NC2=O
InChI
InChI=1S/C12H16N2O2S/c1-2-5-8-6-3-4-7-12(8)9(15)13-11(17)14-10(12)16/h3-4,8H,2,5-7H2,1H3,(H2,13,14,15,16,17)
InChIKey
PCBBKKQNUZLXFS-UHFFFAOYSA-N
Compound name
11-propyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.09325 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10053 156.1
[M+Na]+ 275.08247 162.8
[M-H]- 251.08597 155.7
[M+NH4]+ 270.12707 172.1
[M+K]+ 291.05641 157.0
[M+H-H2O]+ 235.09051 149.9
[M+HCOO]- 297.09145 164.1
[M+CH3COO]- 311.10710 186.9
[M+Na-2H]- 273.06792 156.6
[M]+ 252.09270 150.2
[M]- 252.09380 150.2
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.