CID 4995904

Ethyl 2-[3-(2-chlorophenyl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate

Structural Information

Molecular Formula
C14H13ClN4O2S
SMILES
CCOC(=O)CC1=NN2C(=NN=C2SC1)C3=CC=CC=C3Cl
InChI
InChI=1S/C14H13ClN4O2S/c1-2-21-12(20)7-9-8-22-14-17-16-13(19(14)18-9)10-5-3-4-6-11(10)15/h3-6H,2,7-8H2,1H3
InChIKey
VMAIPFWLYBTYKB-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(2-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.04477 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05205 173.2
[M+Na]+ 359.03399 183.9
[M-H]- 335.03749 176.1
[M+NH4]+ 354.07859 186.0
[M+K]+ 375.00793 178.1
[M+H-H2O]+ 319.04203 164.6
[M+HCOO]- 381.04297 181.5
[M+CH3COO]- 395.05862 183.6
[M+Na-2H]- 357.01944 173.9
[M]+ 336.04422 179.3
[M]- 336.04532 179.3
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.