CID 15958456

1h-[1]benzothieno[3,2-c][1,2,6]thiadiazin-4(3h)-one, 1-[(4-chlorophenyl)methyl]-3-(phenylmethyl)-, 2,2-dioxide

Structural Information

Molecular Formula
C23H17ClN2O3S2
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4S3)N(S2(=O)=O)CC5=CC=C(C=C5)Cl
InChI
InChI=1S/C23H17ClN2O3S2/c24-18-12-10-17(11-13-18)14-25-21-19-8-4-5-9-20(19)30-22(21)23(27)26(31(25,28)29)15-16-6-2-1-3-7-16/h1-13H,14-15H2
InChIKey
PTJKRGYQFFEJLP-UHFFFAOYSA-N
Compound name
3-benzyl-1-[(4-chlorophenyl)methyl]-2,2-dioxo-[1]benzothiolo[3,2-c][1,2,6]thiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

468.03693 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.04421 205.6
[M+Na]+ 491.02615 218.8
[M-H]- 467.02965 215.0
[M+NH4]+ 486.07075 218.9
[M+K]+ 507.00009 210.0
[M+H-H2O]+ 451.03419 198.0
[M+HCOO]- 513.03513 211.4
[M+CH3COO]- 527.05078 215.3
[M+Na-2H]- 489.01160 207.3
[M]+ 468.03638 213.7
[M]- 468.03748 213.7
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.