CID 483532

1-benzyl-2,2-dioxo-6-phenyl-thieno[2,3-c][1,2,6]thiadiazin-4-one

Structural Information

Molecular Formula
C18H14N2O3S2
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(S3)C4=CC=CC=C4)C(=O)NS2(=O)=O
InChI
InChI=1S/C18H14N2O3S2/c21-17-15-11-16(14-9-5-2-6-10-14)24-18(15)20(25(22,23)19-17)12-13-7-3-1-4-8-13/h1-11H,12H2,(H,19,21)
InChIKey
DFQBHPCOYBAESJ-UHFFFAOYSA-N
Compound name
1-benzyl-2,2-dioxo-6-phenylthieno[2,3-c][1,2,6]thiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.0446 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.05188 181.7
[M+Na]+ 393.03382 192.7
[M-H]- 369.03732 188.7
[M+NH4]+ 388.07842 196.2
[M+K]+ 409.00776 184.8
[M+H-H2O]+ 353.04186 174.8
[M+HCOO]- 415.04280 191.2
[M+CH3COO]- 429.05845 191.9
[M+Na-2H]- 391.01927 183.2
[M]+ 370.04405 183.6
[M]- 370.04515 183.6
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

No patent data available for this compound.