CID 510488

2-[2-amino-3-(dimethylsulfamoyl)benzimidazol-5-yl]-2-(3-fluorophenyl)acetamide

Structural Information

Molecular Formula
C17H18FN5O3S
SMILES
CN(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(C3=CC(=CC=C3)F)C(=O)N)N=C1N
InChI
InChI=1S/C17H18FN5O3S/c1-22(2)27(25,26)23-14-9-11(6-7-13(14)21-17(23)20)15(16(19)24)10-4-3-5-12(18)8-10/h3-9,15H,1-2H3,(H2,19,24)(H2,20,21)
InChIKey
ZEJQPHXPONTNBU-UHFFFAOYSA-N
Compound name
2-[2-amino-3-(dimethylsulfamoyl)benzimidazol-5-yl]-2-(3-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.11145 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.11873 188.1
[M+Na]+ 414.10067 196.7
[M-H]- 390.10417 193.6
[M+NH4]+ 409.14527 199.4
[M+K]+ 430.07461 192.5
[M+H-H2O]+ 374.10871 179.0
[M+HCOO]- 436.10965 204.3
[M+CH3COO]- 450.12530 228.3
[M+Na-2H]- 412.08612 189.2
[M]+ 391.11090 190.9
[M]- 391.11200 190.9
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

No patent data available for this compound.