CID 483303

4-butoxy-n-(1h-imidazol-5-ylmethyl)-n-(1-phenylpropyl)benzenesulfonamide

Structural Information

Molecular Formula
C23H29N3O3S
SMILES
CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CN2)C(CC)C3=CC=CC=C3
InChI
InChI=1S/C23H29N3O3S/c1-3-5-15-29-21-11-13-22(14-12-21)30(27,28)26(17-20-16-24-18-25-20)23(4-2)19-9-7-6-8-10-19/h6-14,16,18,23H,3-5,15,17H2,1-2H3,(H,24,25)
InChIKey
ATRWPYXVBZQBID-UHFFFAOYSA-N
Compound name
4-butoxy-N-(1H-imidazol-5-ylmethyl)-N-(1-phenylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.19296 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.20024 203.4
[M+Na]+ 450.18218 207.5
[M-H]- 426.18568 210.0
[M+NH4]+ 445.22678 211.8
[M+K]+ 466.15612 202.3
[M+H-H2O]+ 410.19022 193.3
[M+HCOO]- 472.19116 217.8
[M+CH3COO]- 486.20681 226.0
[M+Na-2H]- 448.16763 203.1
[M]+ 427.19241 207.8
[M]- 427.19351 207.8
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.