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 169.7
[M+Na]+ 345.05474 179.2
[M-H]- 321.05824 172.8
[M+NH4]+ 340.09934 182.5
[M+K]+ 361.02868 174.2
[M+H-H2O]+ 305.06278 160.8
[M+HCOO]- 367.06372 173.5
[M+CH3COO]- 381.07937 179.4
[M+Na-2H]- 343.04019 171.3
[M]+ 322.06497 171.0
[M]- 322.06607 171.0
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.