CID 10274815

499777-85-4

Structural Information

Molecular Formula
C20H21ClFN3O3S
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)N2C=NC(=C2C3=CC(=C(C=C3)OC)F)Cl
InChI
InChI=1S/C20H21ClFN3O3S/c1-20(2,3)24-29(26,27)15-8-6-14(7-9-15)25-12-23-19(21)18(25)13-5-10-17(28-4)16(22)11-13/h5-12,24H,1-4H3
InChIKey
FRZYUVYOHGEOAJ-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

437.09763 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.10491 202.9
[M+Na]+ 460.08685 213.3
[M-H]- 436.09035 210.2
[M+NH4]+ 455.13145 213.1
[M+K]+ 476.06079 206.5
[M+H-H2O]+ 420.09489 193.8
[M+HCOO]- 482.09583 212.8
[M+CH3COO]- 496.11148 226.5
[M+Na-2H]- 458.07230 203.2
[M]+ 437.09708 209.5
[M]- 437.09818 209.5
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

patents stripe