CID 2168432

2-phenoxy-n-{3-[(phenoxyacetyl)amino]propyl}acetamide

Structural Information

Molecular Formula
C19H22N2O4
SMILES
C1=CC=C(C=C1)OCC(=O)NCCCNC(=O)COC2=CC=CC=C2
InChI
InChI=1S/C19H22N2O4/c22-18(14-24-16-8-3-1-4-9-16)20-12-7-13-21-19(23)15-25-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,20,22)(H,21,23)
InChIKey
DQFPCCUJWIFMHS-UHFFFAOYSA-N
Compound name
2-phenoxy-N-[3-[(2-phenoxyacetyl)amino]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

342.15796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.165236 180.7
[M+Na]+ 365.147178 182.9
[M-H]- 341.150684 185.9
[M+NH4]+ 360.191783 192.2
[M+K]+ 381.121118 180.1
[M+H-H2O]+ 325.155220 170.9
[M+HCOO]- 387.156161 204.5
[M+CH3COO]- 401.171811 214.0
[M+Na-2H]- 363.132626 184.6
[M]+ 342.15741142 182.8
[M]- 342.15850858 182.8
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