CID 56649286

Tak-137

Structural Information

Molecular Formula
C19H16N2O3S
SMILES
C1CS(=O)(=O)N=C2N1C=CC=C2C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C19H16N2O3S/c22-25(23)14-13-21-12-4-7-18(19(21)20-25)15-8-10-17(11-9-15)24-16-5-2-1-3-6-16/h1-12H,13-14H2
InChIKey
VKKLOYOLCCDGLD-UHFFFAOYSA-N
Compound name
9-(4-phenoxyphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

37
Patents

352.08817 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.09545 177.8
[M+Na]+ 375.07739 194.8
[M+NH4]+ 370.12199 187.8
[M+K]+ 391.05133 182.0
[M-H]- 351.08089 184.1
[M+Na-2H]- 373.06284 190.0
[M]+ 352.08762 182.9
[M]- 352.08872 182.9
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

patents stripe