CID 2470563

1-(2-methylpropyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CC(C)CN1C(=O)CC(=O)NC1=S
InChI
InChI=1S/C8H12N2O2S/c1-5(2)4-10-7(12)3-6(11)9-8(10)13/h5H,3-4H2,1-2H3,(H,9,11,13)
InChIKey
NZGAVEGIJYAIPY-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.06195 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.069226 142.3
[M+Na]+ 223.051168 150.0
[M-H]- 199.054674 141.8
[M+NH4]+ 218.095773 159.0
[M+K]+ 239.025108 146.5
[M+H-H2O]+ 183.059210 136.3
[M+HCOO]- 245.060151 153.4
[M+CH3COO]- 259.075801 181.8
[M+Na-2H]- 221.036616 141.2
[M]+ 200.06140142 140.2
[M]- 200.06249858 140.2
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

patents stripe