CID 483313

N-(2,4-dimethylpentyl)-4-(1-ethylpropylamino)-n-(1h-imidazol-4-ylmethyl)benzenesulfonamide

Structural Information

Molecular Formula
C22H36N4O2S
SMILES
CCC(CC)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CN2)CC(C)CC(C)C
InChI
InChI=1S/C22H36N4O2S/c1-6-19(7-2)25-20-8-10-22(11-9-20)29(27,28)26(14-18(5)12-17(3)4)15-21-13-23-16-24-21/h8-11,13,16-19,25H,6-7,12,14-15H2,1-5H3,(H,23,24)
InChIKey
UTZVMGBTRBJDOZ-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylpentyl)-N-(1H-imidazol-5-ylmethyl)-4-(pentan-3-ylamino)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.2559 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.26318 204.5
[M+Na]+ 443.24512 206.2
[M-H]- 419.24862 207.6
[M+NH4]+ 438.28972 213.3
[M+K]+ 459.21906 202.3
[M+H-H2O]+ 403.25316 195.1
[M+HCOO]- 465.25410 216.5
[M+CH3COO]- 479.26975 231.8
[M+Na-2H]- 441.23057 201.0
[M]+ 420.25535 207.9
[M]- 420.25645 207.9
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

No patent data available for this compound.