CID 486123

4-(benzyloxymethyl)-1-[(2,3-dichlorophenyl)methyl]-2$l^{6},1,3-benzothiadiazine 2,2-dioxide

Structural Information

Molecular Formula
C22H18Cl2N2O3S
SMILES
C1=CC=C(C=C1)COCC2=NS(=O)(=O)N(C3=CC=CC=C32)CC4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C22H18Cl2N2O3S/c23-19-11-6-9-17(22(19)24)13-26-21-12-5-4-10-18(21)20(25-30(26,27)28)15-29-14-16-7-2-1-3-8-16/h1-12H,13-15H2
InChIKey
YJMVWOMPLKOZCT-UHFFFAOYSA-N
Compound name
1-[(2,3-dichlorophenyl)methyl]-4-(phenylmethoxymethyl)-2lambda6,1,3-benzothiadiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

460.0415 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.04878 200.3
[M+Na]+ 483.03072 211.5
[M-H]- 459.03422 207.8
[M+NH4]+ 478.07532 211.0
[M+K]+ 499.00466 203.4
[M+H-H2O]+ 443.03876 190.6
[M+HCOO]- 505.03970 205.4
[M+CH3COO]- 519.05535 209.4
[M+Na-2H]- 481.01617 203.2
[M]+ 460.04095 208.4
[M]- 460.04205 208.4
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.