CID 506510

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

Structural Information

Molecular Formula
C18H18Cl2N2O3S
SMILES
CC(C)COC1=NS(=O)(=O)N(C2=CC=CC=C21)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H18Cl2N2O3S/c1-12(2)11-25-18-14-5-3-4-6-17(14)22(26(23,24)21-18)10-13-7-8-15(19)16(20)9-13/h3-9,12H,10-11H2,1-2H3
InChIKey
ATTDXWVZCVXZIP-UHFFFAOYSA-N
Compound name
1-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropoxy)-2lambda6,1,3-benzothiadiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.0415 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.04878 184.9
[M+Na]+ 435.03072 196.2
[M-H]- 411.03422 189.8
[M+NH4]+ 430.07532 198.2
[M+K]+ 451.00466 189.5
[M+H-H2O]+ 395.03876 177.8
[M+HCOO]- 457.03970 189.1
[M+CH3COO]- 471.05535 194.9
[M+Na-2H]- 433.01617 186.7
[M]+ 412.04095 193.6
[M]- 412.04205 193.6
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.