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]+ 201.06923 142.3
[M+Na]+ 223.05117 150.0
[M-H]- 199.05467 141.8
[M+NH4]+ 218.09577 159.0
[M+K]+ 239.02511 146.5
[M+H-H2O]+ 183.05921 136.3
[M+HCOO]- 245.06015 153.4
[M+CH3COO]- 259.07580 181.8
[M+Na-2H]- 221.03662 141.2
[M]+ 200.06140 140.2
[M]- 200.06250 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