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 158.0
[M+Na]+ 285.04168 171.3
[M-H]- 261.04518 161.5
[M+NH4]+ 280.08628 174.4
[M+K]+ 301.01562 166.4
[M+H-H2O]+ 245.04972 151.3
[M+HCOO]- 307.05066 174.0
[M+CH3COO]- 321.06631 170.7
[M+Na-2H]- 283.02713 161.5
[M]+ 262.05191 162.5
[M]- 262.05301 162.5
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.