CID 484082

Chembl110051

Structural Information

Molecular Formula
C22H20N2O4S
SMILES
COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=NS2(=O)=O)OCC4=CC=CC=C4
InChI
InChI=1S/C22H20N2O4S/c1-27-19-13-11-17(12-14-19)15-24-21-10-6-5-9-20(21)22(23-29(24,25)26)28-16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKey
ATDRLWSMGDGFJH-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-2lambda6,1,3-benzothiadiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.11438 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.12166 196.0
[M+Na]+ 431.10360 205.4
[M-H]- 407.10710 204.0
[M+NH4]+ 426.14820 206.9
[M+K]+ 447.07754 199.4
[M+H-H2O]+ 391.11164 184.7
[M+HCOO]- 453.11258 210.7
[M+CH3COO]- 467.12823 205.5
[M+Na-2H]- 429.08905 200.6
[M]+ 408.11383 201.4
[M]- 408.11493 201.4
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.