CID 2812195

Oprea1_369975

Structural Information

Molecular Formula
C15H18N2O5
SMILES
CC1=CC(=NO1)C(=O)NCC(COC2=CC=C(C=C2)OC)O
InChI
InChI=1S/C15H18N2O5/c1-10-7-14(17-22-10)15(19)16-8-11(18)9-21-13-5-3-12(20-2)4-6-13/h3-7,11,18H,8-9H2,1-2H3,(H,16,19)
InChIKey
YVKYZKKTOVKDBH-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

306.12158 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.128856 169.5
[M+Na]+ 329.110798 175.3
[M-H]- 305.114304 174.5
[M+NH4]+ 324.155403 182.2
[M+K]+ 345.084738 174.7
[M+H-H2O]+ 289.118840 161.2
[M+HCOO]- 351.119781 190.8
[M+CH3COO]- 365.135431 203.2
[M+Na-2H]- 327.096246 171.7
[M]+ 306.12103142 174.1
[M]- 306.12212858 174.1
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.