CID 506496

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

Structural Information

Molecular Formula
C16H15ClN2O3S
SMILES
CCOC1=NS(=O)(=O)N(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H15ClN2O3S/c1-2-22-16-14-5-3-4-6-15(14)19(23(20,21)18-16)11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3
InChIKey
VHQSVUKIFGSIEJ-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-4-ethoxy-2lambda6,1,3-benzothiadiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.0492 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.056476 174.2
[M+Na]+ 373.038418 185.9
[M-H]- 349.041924 179.7
[M+NH4]+ 368.083023 189.4
[M+K]+ 389.012358 179.6
[M+H-H2O]+ 333.046460 166.3
[M+HCOO]- 395.047401 185.0
[M+CH3COO]- 409.063051 185.6
[M+Na-2H]- 371.023866 179.0
[M]+ 350.04865142 181.3
[M]- 350.04974858 181.3
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.