CID 3055095

Brn 0930138

Structural Information

Molecular Formula
C12H15N3O4S
SMILES
CCCCN1C=NC2=C1C(=CC(=C2)C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C12H15N3O4S/c1-2-3-4-15-7-14-9-5-8(12(16)17)6-10(11(9)15)20(13,18)19/h5-7H,2-4H2,1H3,(H,16,17)(H2,13,18,19)
InChIKey
LRBYXWFETIDDGY-UHFFFAOYSA-N
Compound name
1-butyl-7-sulfamoylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.07834 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08562 166.2
[M+Na]+ 320.06756 175.6
[M+NH4]+ 315.11216 170.9
[M+K]+ 336.04150 172.3
[M-H]- 296.07106 164.5
[M+Na-2H]- 318.05301 168.3
[M]+ 297.07779 167.1
[M]- 297.07889 167.1
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.