CID 3055100

Brn 0942935

Structural Information

Molecular Formula
C18H19N3O4S
SMILES
CC1=NC2=C(N1CCCC3=CC=CC=C3)C(=CC(=C2)C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C18H19N3O4S/c1-12-20-15-10-14(18(22)23)11-16(26(19,24)25)17(15)21(12)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,22,23)(H2,19,24,25)
InChIKey
ZEUAYUQRYOUVLB-UHFFFAOYSA-N
Compound name
2-methyl-1-(3-phenylpropyl)-7-sulfamoylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.10962 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11690 186.2
[M+Na]+ 396.09884 197.8
[M+NH4]+ 391.14344 191.2
[M+K]+ 412.07278 192.9
[M-H]- 372.10234 187.4
[M+Na-2H]- 394.08429 191.0
[M]+ 373.10907 188.4
[M]- 373.11017 188.4
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.