CID 484094

1-[(3-chlorophenyl)methyl]-4-(phenylmethoxy)benzo[c]1,2,6-thiadiazine-2,2-dione

Structural Information

Molecular Formula
C21H17ClN2O3S
SMILES
C1=CC=C(C=C1)COC2=NS(=O)(=O)N(C3=CC=CC=C32)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C21H17ClN2O3S/c22-18-10-6-9-17(13-18)14-24-20-12-5-4-11-19(20)21(23-28(24,25)26)27-15-16-7-2-1-3-8-16/h1-13H,14-15H2
InChIKey
HCACCNXTWHRPBZ-UHFFFAOYSA-N
Compound name
1-[(3-chlorophenyl)methyl]-4-phenylmethoxy-2lambda6,1,3-benzothiadiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.06485 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.07213 193.1
[M+Na]+ 435.05407 204.0
[M-H]- 411.05757 201.2
[M+NH4]+ 430.09867 205.0
[M+K]+ 451.02801 196.4
[M+H-H2O]+ 395.06211 182.8
[M+HCOO]- 457.06305 203.5
[M+CH3COO]- 471.07870 203.0
[M+Na-2H]- 433.03952 197.7
[M]+ 412.06430 199.1
[M]- 412.06540 199.1
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.