CID 510482

2-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-2-(2,3,5,6-tetrafluorophenyl)acetamide

Structural Information

Molecular Formula
C18H16F4N4O3S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(C3=C(C(=CC(=C3F)F)F)F)C(=O)N)N=C1N
InChI
InChI=1S/C18H16F4N4O3S/c1-7(2)30(28,29)26-12-5-8(3-4-11(12)25-18(26)24)13(17(23)27)14-15(21)9(19)6-10(20)16(14)22/h3-7,13H,1-2H3,(H2,23,27)(H2,24,25)
InChIKey
JZFIIYARDGMPKL-UHFFFAOYSA-N
Compound name
2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-(2,3,5,6-tetrafluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.08792 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.09520 197.4
[M+Na]+ 467.07714 208.5
[M-H]- 443.08064 198.3
[M+NH4]+ 462.12174 206.7
[M+K]+ 483.05108 202.1
[M+H-H2O]+ 427.08518 186.7
[M+HCOO]- 489.08612 207.4
[M+CH3COO]- 503.10177 235.6
[M+Na-2H]- 465.06259 193.1
[M]+ 444.08737 197.5
[M]- 444.08847 197.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.