CID 135921786

Phenol, 2-(4h-(1,2,4)triazolo(3,4-c)(1,4)benzothiazine-1-yl)-

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]+ 282.069576 160.4
[M+Na]+ 304.051518 171.5
[M-H]- 280.055024 164.4
[M+NH4]+ 299.096123 176.3
[M+K]+ 320.025458 165.0
[M+H-H2O]+ 264.059560 152.5
[M+HCOO]- 326.060501 173.6
[M+CH3COO]- 340.076151 171.9
[M+Na-2H]- 302.036966 164.9
[M]+ 281.06175142 161.8
[M]- 281.06284858 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.