CID 3066391

4h-(1,2,4)triazolo(3,4-c)(1,4)benzothiazine, 1-(4-morpholinylmethyl)-8-(trifluoromethyl)-

Structural Information

Molecular Formula
C15H15F3N4OS
SMILES
C1COCCN1CC2=NN=C3N2C4=C(C=CC(=C4)C(F)(F)F)SC3
InChI
InChI=1S/C15H15F3N4OS/c16-15(17,18)10-1-2-12-11(7-10)22-13(19-20-14(22)9-24-12)8-21-3-5-23-6-4-21/h1-2,7H,3-6,8-9H2
InChIKey
MGZBGKNYAOOOBI-UHFFFAOYSA-N
Compound name
4-[[8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.09186 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09914 178.3
[M+Na]+ 379.08108 187.4
[M-H]- 355.08458 177.7
[M+NH4]+ 374.12568 188.9
[M+K]+ 395.05502 182.2
[M+H-H2O]+ 339.08912 166.9
[M+HCOO]- 401.09006 181.8
[M+CH3COO]- 415.10571 186.3
[M+Na-2H]- 377.06653 179.3
[M]+ 356.09131 174.7
[M]- 356.09241 174.7
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.