CID 510487

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

Structural Information

Molecular Formula
C18H20FN5O3S
SMILES
CNC(=O)C(C1=CC(=CC=C1)F)C2=CC3=C(C=C2)N=C(N3S(=O)(=O)N(C)C)N
InChI
InChI=1S/C18H20FN5O3S/c1-21-17(25)16(11-5-4-6-13(19)9-11)12-7-8-14-15(10-12)24(18(20)22-14)28(26,27)23(2)3/h4-10,16H,1-3H3,(H2,20,22)(H,21,25)
InChIKey
XMCNDKNSUJBDNE-UHFFFAOYSA-N
Compound name
2-[2-amino-3-(dimethylsulfamoyl)benzimidazol-5-yl]-2-(3-fluorophenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.12708 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13436 192.5
[M+Na]+ 428.11630 200.7
[M-H]- 404.11980 198.3
[M+NH4]+ 423.16090 203.5
[M+K]+ 444.09024 196.7
[M+H-H2O]+ 388.12434 183.2
[M+HCOO]- 450.12528 209.0
[M+CH3COO]- 464.14093 231.0
[M+Na-2H]- 426.10175 194.1
[M]+ 405.12653 196.5
[M]- 405.12763 196.5
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.