CID 3066390

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

Structural Information

Molecular Formula
C14H15ClN4OS
SMILES
C1COCCN1CC2=NN=C3N2C4=C(C=CC(=C4)Cl)SC3
InChI
InChI=1S/C14H15ClN4OS/c15-10-1-2-12-11(7-10)19-13(16-17-14(19)9-21-12)8-18-3-5-20-6-4-18/h1-2,7H,3-6,8-9H2
InChIKey
YOXZMLSYCCTZFT-UHFFFAOYSA-N
Compound name
4-[(8-chloro-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

322.06552 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07280 170.1
[M+Na]+ 345.05474 185.0
[M+NH4]+ 340.09934 179.4
[M+K]+ 361.02868 176.7
[M-H]- 321.05824 174.7
[M+Na-2H]- 343.04019 175.0
[M]+ 322.06497 174.4
[M]- 322.06607 174.4
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.