CID 341528

Nsc373878

Structural Information

Molecular Formula
C16H13ClN4O3S
SMILES
CN1C2=CC=CC=C2S(=O)(=O)N3C1=NN=C3COC4=CC=C(C=C4)Cl
InChI
InChI=1S/C16H13ClN4O3S/c1-20-13-4-2-3-5-14(13)25(22,23)21-15(18-19-16(20)21)10-24-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3
InChIKey
NZKNCMVBGGKKNK-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenoxy)methyl]-10-methyl-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0397 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.04698 181.7
[M+Na]+ 399.02892 195.6
[M-H]- 375.03242 186.2
[M+NH4]+ 394.07352 196.0
[M+K]+ 415.00286 189.0
[M+H-H2O]+ 359.03696 173.1
[M+HCOO]- 421.03790 190.5
[M+CH3COO]- 435.05355 192.6
[M+Na-2H]- 397.01437 185.5
[M]+ 376.03915 189.9
[M]- 376.04025 189.9
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.