CID 506508

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

Structural Information

Molecular Formula
C17H16Cl2N2O3S
SMILES
CC(C)OC1=NS(=O)(=O)N(C2=CC=CC=C21)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2O3S/c1-11(2)24-17-13-5-3-4-6-16(13)21(25(22,23)20-17)10-12-7-8-14(18)15(19)9-12/h3-9,11H,10H2,1-2H3
InChIKey
UUXPXFJSKFAEJO-UHFFFAOYSA-N
Compound name
1-[(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-2lambda6,1,3-benzothiadiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.02588 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.03316 180.6
[M+Na]+ 421.01510 192.3
[M-H]- 397.01860 185.8
[M+NH4]+ 416.05970 194.5
[M+K]+ 436.98904 185.9
[M+H-H2O]+ 381.02314 173.8
[M+HCOO]- 443.02408 185.1
[M+CH3COO]- 457.03973 191.1
[M+Na-2H]- 419.00055 182.9
[M]+ 398.02533 189.0
[M]- 398.02643 189.0
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.