CID 2816684

93299-89-9

Structural Information

Molecular Formula
C14H10N4S
SMILES
C1C2=NN=C(N2C3=CC=CC=C3S1)C4=CC=NC=C4
InChI
InChI=1S/C14H10N4S/c1-2-4-12-11(3-1)18-13(9-19-12)16-17-14(18)10-5-7-15-8-6-10/h1-8H,9H2
InChIKey
NSEMDSCYNBGKSP-UHFFFAOYSA-N
Compound name
1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

266.06262 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06990 156.7
[M+Na]+ 289.05184 168.2
[M-H]- 265.05534 160.4
[M+NH4]+ 284.09644 172.3
[M+K]+ 305.02578 161.8
[M+H-H2O]+ 249.05988 147.7
[M+HCOO]- 311.06082 170.2
[M+CH3COO]- 325.07647 168.3
[M+Na-2H]- 287.03729 162.4
[M]+ 266.06207 158.1
[M]- 266.06317 158.1
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

No patent data available for this compound.