CID 57989720

N-(3-(2-(2-chloropyrimidin-4-yl)acetyl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide

Structural Information

Molecular Formula
C18H11ClF3N3O3S
SMILES
C1=CC(=C(C(=C1)NS(=O)(=O)C2=C(C=CC=C2F)F)F)C(=O)CC3=NC(=NC=C3)Cl
InChI
InChI=1S/C18H11ClF3N3O3S/c19-18-23-8-7-10(24-18)9-15(26)11-3-1-6-14(16(11)22)25-29(27,28)17-12(20)4-2-5-13(17)21/h1-8,25H,9H2
InChIKey
JENXIOQPSJSXEN-UHFFFAOYSA-N
Compound name
N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

441.01617 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.02345 193.4
[M+Na]+ 464.00539 204.3
[M-H]- 440.00889 197.5
[M+NH4]+ 459.04999 200.9
[M+K]+ 479.97933 195.8
[M+H-H2O]+ 424.01343 181.4
[M+HCOO]- 486.01437 201.7
[M+CH3COO]- 500.03002 226.5
[M+Na-2H]- 461.99084 194.3
[M]+ 441.01562 195.9
[M]- 441.01672 195.9
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

patents stripe