CID 476282

2-(2,4-dimethoxybenzyl)-2-ethyl-1,1,3-trioxo-2h,4h-thieno[3,4-e][1,2,4]-thiadiazine

Structural Information

Molecular Formula
C16H18N2O5S2
SMILES
CCN1C2=CSC=C2S(=O)(=O)N(C1=O)CC3=C(C=C(C=C3)OC)OC
InChI
InChI=1S/C16H18N2O5S2/c1-4-17-13-9-24-10-15(13)25(20,21)18(16(17)19)8-11-5-6-12(22-2)7-14(11)23-3/h5-7,9-10H,4,8H2,1-3H3
InChIKey
SIHXLMPXVMTDNB-UHFFFAOYSA-N
Compound name
2-[(2,4-dimethoxyphenyl)methyl]-4-ethyl-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.0657 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.07298 181.6
[M+Na]+ 405.05492 192.7
[M-H]- 381.05842 187.0
[M+NH4]+ 400.09952 196.9
[M+K]+ 421.02886 187.8
[M+H-H2O]+ 365.06296 175.7
[M+HCOO]- 427.06390 191.6
[M+CH3COO]- 441.07955 214.3
[M+Na-2H]- 403.04037 181.8
[M]+ 382.06515 190.5
[M]- 382.06625 190.5
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.