CID 10025495

Cpu-228

Structural Information

Molecular Formula
C23H26N2O4S
SMILES
CC(=O)N(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H26N2O4S/c1-18(26)25(15-14-19-10-12-21(13-11-19)24-30(2,27)28)16-17-29-23-9-5-7-20-6-3-4-8-22(20)23/h3-13,24H,14-17H2,1-2H3
InChIKey
NSXHCQYUSBIMAJ-UHFFFAOYSA-N
Compound name
N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.16132 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.16860 201.0
[M+Na]+ 449.15054 205.3
[M-H]- 425.15404 208.7
[M+NH4]+ 444.19514 211.7
[M+K]+ 465.12448 201.3
[M+H-H2O]+ 409.15858 191.4
[M+HCOO]- 471.15952 218.0
[M+CH3COO]- 485.17517 232.3
[M+Na-2H]- 447.13599 204.7
[M]+ 426.16077 206.9
[M]- 426.16187 206.9
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.