CID 480969

Phenyl 2-[(3-benzyl-2,2,4-trioxo-2$l^{6},1,3-benzothiadiazin-1-yl)methoxy]acetate

Structural Information

Molecular Formula
C23H20N2O6S
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N(S2(=O)=O)COCC(=O)OC4=CC=CC=C4
InChI
InChI=1S/C23H20N2O6S/c26-22(31-19-11-5-2-6-12-19)16-30-17-25-21-14-8-7-13-20(21)23(27)24(32(25,28)29)15-18-9-3-1-4-10-18/h1-14H,15-17H2
InChIKey
DVSZFEQNZAJBJD-UHFFFAOYSA-N
Compound name
phenyl 2-[(3-benzyl-2,2,4-trioxo-2lambda6,1,3-benzothiadiazin-1-yl)methoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.10422 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.11150 204.3
[M+Na]+ 475.09344 211.5
[M-H]- 451.09694 211.5
[M+NH4]+ 470.13804 212.6
[M+K]+ 491.06738 206.6
[M+H-H2O]+ 435.10148 192.9
[M+HCOO]- 497.10242 216.8
[M+CH3COO]- 511.11807 226.5
[M+Na-2H]- 473.07889 207.3
[M]+ 452.10367 209.5
[M]- 452.10477 209.5
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.