CID 510481

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

Structural Information

Molecular Formula
C18H18F2N4O3S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(C3=CC(=CC(=C3)F)F)C(=O)N)N=C1N
InChI
InChI=1S/C18H18F2N4O3S/c1-9(2)28(26,27)24-15-7-10(3-4-14(15)23-18(24)22)16(17(21)25)11-5-12(19)8-13(20)6-11/h3-9,16H,1-2H3,(H2,21,25)(H2,22,23)
InChIKey
DUCDLRLFNHPLGS-UHFFFAOYSA-N
Compound name
2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-(3,5-difluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.10678 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.11406 191.9
[M+Na]+ 431.09600 201.4
[M-H]- 407.09950 194.9
[M+NH4]+ 426.14060 202.4
[M+K]+ 447.06994 195.8
[M+H-H2O]+ 391.10404 182.7
[M+HCOO]- 453.10498 204.2
[M+CH3COO]- 467.12063 227.7
[M+Na-2H]- 429.08145 190.0
[M]+ 408.10623 193.4
[M]- 408.10733 193.4
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.