CID 201231

1h-imidazo(1,2-b)-s-triazole, 5-(p-methylsulfonylphenyl)-

Structural Information

Molecular Formula
C11H10N4O2S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=CN3C(=N2)N=CN3
InChI
InChI=1S/C11H10N4O2S/c1-18(16,17)9-4-2-8(3-5-9)10-6-15-11(14-10)12-7-13-15/h2-7H,1H3,(H,12,13,14)
InChIKey
VVDOBSIULNBZRI-UHFFFAOYSA-N
Compound name
5-(4-methylsulfonylphenyl)-1H-imidazo[1,2-b][1,2,4]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.05246 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05974 156.0
[M+Na]+ 285.04168 169.0
[M+NH4]+ 280.08628 162.6
[M+K]+ 301.01562 165.6
[M-H]- 261.04518 156.3
[M+Na-2H]- 283.02713 162.1
[M]+ 262.05191 158.3
[M]- 262.05301 158.3
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.