CID 4441801

2-methyl-1h-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid

Structural Information

Molecular Formula
C10H9N3O3S
SMILES
CC1=CC2=NC3=C(N2N1)C=CC(=C3)S(=O)(=O)O
InChI
InChI=1S/C10H9N3O3S/c1-6-4-10-11-8-5-7(17(14,15)16)2-3-9(8)13(10)12-6/h2-5,12H,1H3,(H,14,15,16)
InChIKey
GQQKOBSWEJXCQE-UHFFFAOYSA-N
Compound name
2-methyl-1H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.03647 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04375 153.1
[M+Na]+ 274.02569 165.7
[M+NH4]+ 269.07029 159.9
[M+K]+ 289.99963 162.9
[M-H]- 250.02919 151.8
[M+Na-2H]- 272.01114 156.7
[M]+ 251.03592 154.9
[M]- 251.03702 154.9
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

patents stripe