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]+ 383.19655 189.9
[M+Na]+ 405.17849 189.8
[M-H]- 381.18199 197.3
[M+NH4]+ 400.22309 199.2
[M+K]+ 421.15243 186.6
[M+H-H2O]+ 365.18653 179.2
[M+HCOO]- 427.18747 209.7
[M+CH3COO]- 441.20312 221.4
[M+Na-2H]- 403.16394 191.4
[M]+ 382.18872 186.5
[M]- 382.18982 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