CID 16758209

(2r,3e)-2-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}-3-(propoxyimino)butanoic acid

Structural Information

Molecular Formula
C25H28N2O5
SMILES
CCCO/N=C(\C)/[C@@H](CC1=CC=C(C=C1)OCC2=C(OC(=N2)C3=CC=CC=C3)C)C(=O)O
InChI
InChI=1S/C25H28N2O5/c1-4-14-31-27-17(2)22(25(28)29)15-19-10-12-21(13-11-19)30-16-23-18(3)32-24(26-23)20-8-6-5-7-9-20/h5-13,22H,4,14-16H2,1-3H3,(H,28,29)/b27-17+/t22-/m1/s1
InChIKey
YAWURVGPVQWWHE-UJUJBVAOSA-N
Compound name
(2R,3E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-propoxyiminobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.19983 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.20711 207.2
[M+Na]+ 459.18905 218.2
[M+NH4]+ 454.23365 211.5
[M+K]+ 475.16299 214.5
[M-H]- 435.19255 212.1
[M+Na-2H]- 457.17450 212.8
[M]+ 436.19928 209.9
[M]- 436.20038 209.9
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

No patent data available for this compound.