CID 3055094

Brn 0941503

Structural Information

Molecular Formula
C17H17N3O4S
SMILES
C1=CC=C(C=C1)CCCN2C=NC3=C2C(=CC(=C3)C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C17H17N3O4S/c18-25(23,24)15-10-13(17(21)22)9-14-16(15)20(11-19-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,21,22)(H2,18,23,24)
InChIKey
YUQHZHVJRMAKIC-UHFFFAOYSA-N
Compound name
1-(3-phenylpropyl)-7-sulfamoylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.09396 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10124 181.1
[M+Na]+ 382.08318 192.6
[M+NH4]+ 377.12778 186.3
[M+K]+ 398.05712 187.7
[M-H]- 358.08668 182.2
[M+Na-2H]- 380.06863 186.4
[M]+ 359.09341 183.3
[M]- 359.09451 183.3
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.