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]+ 243.07979 152.5
[M+Na]+ 265.06173 159.2
[M-H]- 241.06523 148.9
[M+NH4]+ 260.10633 167.7
[M+K]+ 281.03567 153.8
[M+H-H2O]+ 225.06977 147.6
[M+HCOO]- 287.07071 160.2
[M+CH3COO]- 301.08636 184.0
[M+Na-2H]- 263.04718 151.3
[M]+ 242.07196 148.6
[M]- 242.07306 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.