CID 484103

Chembl107864

Structural Information

Molecular Formula
C22H18N2O4S
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N(S2(=O)=O)CC(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2O4S/c25-21(18-11-5-2-6-12-18)16-23-20-14-8-7-13-19(20)22(26)24(29(23,27)28)15-17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKey
AILKHTAQGWNFNC-UHFFFAOYSA-N
Compound name
3-benzyl-2,2-dioxo-1-phenacyl-2lambda6,1,3-benzothiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

406.09872 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10600 194.5
[M+Na]+ 429.08794 202.9
[M-H]- 405.09144 202.0
[M+NH4]+ 424.13254 205.0
[M+K]+ 445.06188 196.5
[M+H-H2O]+ 389.09598 183.6
[M+HCOO]- 451.09692 207.0
[M+CH3COO]- 465.11257 203.4
[M+Na-2H]- 427.07339 197.3
[M]+ 406.09817 196.7
[M]- 406.09927 196.7
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.