CID 366460

Nsc634867

Structural Information

Molecular Formula
C14H24N2OS2
SMILES
CC1(C(=O)N(C(=S)N(C12C(C(S2)(C)C)(C)C)C)C)C
InChI
InChI=1S/C14H24N2OS2/c1-11(2)9(17)15(7)10(18)16(8)14(11)12(3,4)13(5,6)19-14/h1-8H3
InChIKey
LKPYZJWBTVTLCQ-UHFFFAOYSA-N
Compound name
2,2,3,3,5,5,7,9-octamethyl-8-sulfanylidene-1-thia-7,9-diazaspiro[3.5]nonan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.133 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14028 150.0
[M+Na]+ 323.12222 157.5
[M-H]- 299.12572 152.0
[M+NH4]+ 318.16682 165.2
[M+K]+ 339.09616 156.7
[M+H-H2O]+ 283.13026 142.7
[M+HCOO]- 345.13120 153.5
[M+CH3COO]- 359.14685 208.4
[M+Na-2H]- 321.10767 151.7
[M]+ 300.13245 161.6
[M]- 300.13355 161.6
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.