CID 11784436

499777-84-3

Structural Information

Molecular Formula
C20H22FN3O3S
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)N2C=NC=C2C3=CC(=C(C=C3)OC)F
InChI
InChI=1S/C20H22FN3O3S/c1-20(2,3)23-28(25,26)16-8-6-15(7-9-16)24-13-22-12-18(24)14-5-10-19(27-4)17(21)11-14/h5-13,23H,1-4H3
InChIKey
KZVFRDBKQZRUIB-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-[5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

403.1366 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14388 196.0
[M+Na]+ 426.12582 205.1
[M-H]- 402.12932 203.1
[M+NH4]+ 421.17042 206.5
[M+K]+ 442.09976 199.5
[M+H-H2O]+ 386.13386 186.4
[M+HCOO]- 448.13480 210.7
[M+CH3COO]- 462.15045 221.8
[M+Na-2H]- 424.11127 197.5
[M]+ 403.13605 200.2
[M]- 403.13715 200.2
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