CID 471977

Qm96519

Structural Information

Molecular Formula
C19H16N2O3S2
SMILES
C1=CC=C(C=C1)CN2C3=CSC=C3S(=O)(=O)N(C2=O)CC4=CC=CC=C4
InChI
InChI=1S/C19H16N2O3S2/c22-19-20(11-15-7-3-1-4-8-15)17-13-25-14-18(17)26(23,24)21(19)12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKey
VGQBOBSHKLXJSG-UHFFFAOYSA-N
Compound name
2,4-dibenzyl-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

384.06024 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06752 186.3
[M+Na]+ 407.04946 197.2
[M-H]- 383.05296 194.4
[M+NH4]+ 402.09406 200.9
[M+K]+ 423.02340 190.0
[M+H-H2O]+ 367.05750 178.7
[M+HCOO]- 429.05844 196.9
[M+CH3COO]- 443.07409 196.6
[M+Na-2H]- 405.03491 187.5
[M]+ 384.05969 190.1
[M]- 384.06079 190.1
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.