CID 3055104

Brn 0859689

Structural Information

Molecular Formula
C16H17N3O5S
SMILES
CCCCN1C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N=C1C3=CC=CO3
InChI
InChI=1S/C16H17N3O5S/c1-2-3-6-19-14-11(18-15(19)12-5-4-7-24-12)8-10(16(20)21)9-13(14)25(17,22)23/h4-5,7-9H,2-3,6H2,1H3,(H,20,21)(H2,17,22,23)
InChIKey
ZRSCOPYXTKNHMY-UHFFFAOYSA-N
Compound name
1-butyl-2-(furan-2-yl)-7-sulfamoylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.0889 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.096176 183.3
[M+Na]+ 386.078118 193.7
[M-H]- 362.081624 189.3
[M+NH4]+ 381.122723 196.2
[M+K]+ 402.052058 190.5
[M+H-H2O]+ 346.086160 177.4
[M+HCOO]- 408.087101 199.3
[M+CH3COO]- 422.102751 211.0
[M+Na-2H]- 384.063566 184.0
[M]+ 363.08835142 191.0
[M]- 363.08944858 191.0
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.