CID 3044927

Brn 0562714

Structural Information

Molecular Formula
C14H10ClN3O3S
SMILES
C1=CC=C2C(=C1)NC(=NS2(=O)=O)C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H10ClN3O3S/c15-9-4-3-5-10(8-9)16-14(19)13-17-11-6-1-2-7-12(11)22(20,21)18-13/h1-8H,(H,16,19)(H,17,18)
InChIKey
YQNWITCHQTXDOH-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.01315 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.02043 168.7
[M+Na]+ 358.00237 183.3
[M+NH4]+ 353.04697 177.4
[M+K]+ 373.97631 172.6
[M-H]- 334.00587 171.7
[M+Na-2H]- 355.98782 177.8
[M]+ 335.01260 172.5
[M]- 335.01370 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.