CID 22296373

141650-31-9

Structural Information

Molecular Formula
C19H22N2O5
SMILES
C1=CC(=CC=C1CC(=O)N)OCC(COC2=CC=C(C=C2)CC(=O)N)O
InChI
InChI=1S/C19H22N2O5/c20-18(23)9-13-1-5-16(6-2-13)25-11-15(22)12-26-17-7-3-14(4-8-17)10-19(21)24/h1-8,15,22H,9-12H2,(H2,20,23)(H2,21,24)
InChIKey
RJTRBVLDVHIXNJ-UHFFFAOYSA-N
Compound name
2-[4-[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.15286 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.160136 184.5
[M+Na]+ 381.142078 187.4
[M-H]- 357.145584 188.1
[M+NH4]+ 376.186683 194.4
[M+K]+ 397.116018 184.8
[M+H-H2O]+ 341.150120 175.3
[M+HCOO]- 403.151061 204.7
[M+CH3COO]- 417.166711 217.8
[M+Na-2H]- 379.127526 183.3
[M]+ 358.15231142 184.5
[M]- 358.15340858 184.5
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

No patent data available for this compound.