CID 135921786

Brn 4507249

Structural Information

Molecular Formula
C15H11N3OS
SMILES
C1C2=NN=C(N2C3=CC=CC=C3S1)C4=CC=CC=C4O
InChI
InChI=1S/C15H11N3OS/c19-12-7-3-1-5-10(12)15-17-16-14-9-20-13-8-4-2-6-11(13)18(14)15/h1-8,19H,9H2
InChIKey
VUGOXKVXENEHHR-UHFFFAOYSA-N
Compound name
2-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0623 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06958 160.4
[M+Na]+ 304.05152 171.5
[M-H]- 280.05502 164.4
[M+NH4]+ 299.09612 176.3
[M+K]+ 320.02546 165.0
[M+H-H2O]+ 264.05956 152.5
[M+HCOO]- 326.06050 173.6
[M+CH3COO]- 340.07615 171.9
[M+Na-2H]- 302.03697 164.9
[M]+ 281.06175 161.8
[M]- 281.06285 161.8
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.