CID 514161

2h-1,3,5-thiadiazine-2,4(3h)-dione, 6-(phenylmethyl)-

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
C1=CC=C(C=C1)CC2=NC(=O)NC(=O)S2
InChI
InChI=1S/C10H8N2O2S/c13-9-11-8(15-10(14)12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13,14)
InChIKey
PREWKURSUZZSQV-UHFFFAOYSA-N
Compound name
6-benzyl-1,3,5-thiadiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.03065 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03793 143.2
[M+Na]+ 243.01987 153.9
[M-H]- 219.02337 146.9
[M+NH4]+ 238.06447 158.9
[M+K]+ 258.99381 148.4
[M+H-H2O]+ 203.02791 135.7
[M+HCOO]- 265.02885 160.6
[M+CH3COO]- 279.04450 156.0
[M+Na-2H]- 241.00532 148.3
[M]+ 220.03010 144.4
[M]- 220.03120 144.4
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.