CID 2911475

2-phenoxy-n-{2-[(phenoxyacetyl)amino]cyclohexyl}acetamide

Structural Information

Molecular Formula
C22H26N2O4
SMILES
C1CCC(C(C1)NC(=O)COC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3
InChI
InChI=1S/C22H26N2O4/c25-21(15-27-17-9-3-1-4-10-17)23-19-13-7-8-14-20(19)24-22(26)16-28-18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2,(H,23,25)(H,24,26)
InChIKey
YBRVMPVDCHTAQX-UHFFFAOYSA-N
Compound name
2-phenoxy-N-[2-[(2-phenoxyacetyl)amino]cyclohexyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

382.18927 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.196546 189.9
[M+Na]+ 405.178488 189.8
[M-H]- 381.181994 197.3
[M+NH4]+ 400.223093 199.2
[M+K]+ 421.152428 186.6
[M+H-H2O]+ 365.186530 179.2
[M+HCOO]- 427.187471 209.7
[M+CH3COO]- 441.203121 221.4
[M+Na-2H]- 403.163936 191.4
[M]+ 382.18872142 186.5
[M]- 382.18981858 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe