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]+ 359.16014 184.5
[M+Na]+ 381.14208 187.4
[M-H]- 357.14558 188.1
[M+NH4]+ 376.18668 194.4
[M+K]+ 397.11602 184.8
[M+H-H2O]+ 341.15012 175.3
[M+HCOO]- 403.15106 204.7
[M+CH3COO]- 417.16671 217.8
[M+Na-2H]- 379.12753 183.3
[M]+ 358.15231 184.5
[M]- 358.15341 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.