CID 3006910

2h-1,2,4-oxadiazin-3(4h)-one, dihydro-2-(phenylmethyl)-5-thioxo-

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
C1C(=S)NC(=O)N(O1)CC2=CC=CC=C2
InChI
InChI=1S/C10H10N2O2S/c13-10-11-9(15)7-14-12(10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13,15)
InChIKey
VSZUGKNGNCVYCW-UHFFFAOYSA-N
Compound name
2-benzyl-5-sulfanylidene-1,2,4-oxadiazinan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.0463 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 146.6
[M+Na]+ 245.03552 154.3
[M-H]- 221.03902 149.8
[M+NH4]+ 240.08012 160.6
[M+K]+ 261.00946 150.6
[M+H-H2O]+ 205.04356 139.0
[M+HCOO]- 267.04450 158.9
[M+CH3COO]- 281.06015 157.9
[M+Na-2H]- 243.02097 149.5
[M]+ 222.04575 144.2
[M]- 222.04685 144.2
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

No patent data available for this compound.