CID 483304

4'-methoxy-biphenyl-4-sulfonic acid (2,4-dimethyl-pentyl)-(1h-imidazol-4-ylmethyl)-amide

Structural Information

Molecular Formula
C24H31N3O3S
SMILES
CC(C)CC(C)CN(CC1=CN=CN1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H31N3O3S/c1-18(2)13-19(3)15-27(16-22-14-25-17-26-22)31(28,29)24-11-7-21(8-12-24)20-5-9-23(30-4)10-6-20/h5-12,14,17-19H,13,15-16H2,1-4H3,(H,25,26)
InChIKey
ISHOHDMCFXYREQ-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylpentyl)-N-(1H-imidazol-5-ylmethyl)-4-(4-methoxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

441.20862 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.21590 207.5
[M+Na]+ 464.19784 211.5
[M-H]- 440.20134 214.3
[M+NH4]+ 459.24244 215.4
[M+K]+ 480.17178 206.8
[M+H-H2O]+ 424.20588 197.6
[M+HCOO]- 486.20682 220.4
[M+CH3COO]- 500.22247 230.9
[M+Na-2H]- 462.18329 205.2
[M]+ 441.20807 212.1
[M]- 441.20917 212.1
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

No patent data available for this compound.