CID 676561

27430-18-8

Structural Information

Molecular Formula
C9H6N2O3S
SMILES
C1=COC(=C1)C=C2C(=O)NC(=S)NC2=O
InChI
InChI=1S/C9H6N2O3S/c12-7-6(4-5-2-1-3-14-5)8(13)11-9(15)10-7/h1-4H,(H2,10,11,12,13,15)
InChIKey
VQRARDATQWRHGF-UHFFFAOYSA-N
Compound name
5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

61
Patents

222.00992 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.01720 148.9
[M+Na]+ 244.99914 159.1
[M+NH4]+ 240.04374 154.8
[M+K]+ 260.97308 154.5
[M-H]- 221.00264 150.0
[M+Na-2H]- 242.98459 151.1
[M]+ 222.00937 150.6
[M]- 222.01047 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe