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

3
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

patents stripe