CID 483306

Biphenyl-4-sulfonic acid (2,4-dimethyl-pentyl)-(1h-imidazol-4-ylmethyl)-amide

Structural Information

Molecular Formula
C23H29N3O2S
SMILES
CC(C)CC(C)CN(CC1=CN=CN1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H29N3O2S/c1-18(2)13-19(3)15-26(16-22-14-24-17-25-22)29(27,28)23-11-9-21(10-12-23)20-7-5-4-6-8-20/h4-12,14,17-19H,13,15-16H2,1-3H3,(H,24,25)
InChIKey
DPWAIBOPRFTLJL-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylpentyl)-N-(1H-imidazol-5-ylmethyl)-4-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.19806 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.20534 200.0
[M+Na]+ 434.18728 204.1
[M-H]- 410.19078 206.8
[M+NH4]+ 429.23188 209.1
[M+K]+ 450.16122 198.8
[M+H-H2O]+ 394.19532 190.3
[M+HCOO]- 456.19626 213.2
[M+CH3COO]- 470.21191 224.8
[M+Na-2H]- 432.17273 198.6
[M]+ 411.19751 202.6
[M]- 411.19861 202.6
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.