CID 3032919

35242-58-1

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
CC(CC1(C(=O)NC(=S)NC1=O)CC=C)O
InChI
InChI=1S/C10H14N2O3S/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)
InChIKey
RCAJZRAMNHOZNM-UHFFFAOYSA-N
Compound name
5-(2-hydroxypropyl)-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07251 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.079786 152.5
[M+Na]+ 265.061728 159.2
[M-H]- 241.065234 148.9
[M+NH4]+ 260.106333 167.7
[M+K]+ 281.035668 153.8
[M+H-H2O]+ 225.069770 147.6
[M+HCOO]- 287.070711 160.2
[M+CH3COO]- 301.086361 184.0
[M+Na-2H]- 263.047176 151.3
[M]+ 242.07196142 148.6
[M]- 242.07305858 148.6
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.