CID 9888141

223472-31-9

Structural Information

Molecular Formula
C22H28N2O6
SMILES
CCOCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C22H28N2O6/c1-3-28-15-29-14-18(13-16(2)21(25)24-27)23-22(26)17-9-11-20(12-10-17)30-19-7-5-4-6-8-19/h4-12,16,18,27H,3,13-15H2,1-2H3,(H,23,26)(H,24,25)/t16-,18-/m0/s1
InChIKey
HDWWQELUBWGQGA-WMZOPIPTSA-N
Compound name
N-[(2S,4S)-1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

204
Patents

416.19473 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20201 200.4
[M+Na]+ 439.18395 207.5
[M+NH4]+ 434.22855 203.6
[M+K]+ 455.15789 203.7
[M-H]- 415.18745 201.7
[M+Na-2H]- 437.16940 204.2
[M]+ 416.19418 201.2
[M]- 416.19528 201.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe