CID 86266638

N-[3-hydroxy-3-(oxan-4-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide

Structural Information

Molecular Formula
C18H22N2O4
SMILES
C1COCCC1C(CCNC(=O)C2=NOC(=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C18H22N2O4/c21-16(13-7-10-23-11-8-13)6-9-19-18(22)15-12-17(24-20-15)14-4-2-1-3-5-14/h1-5,12-13,16,21H,6-11H2,(H,19,22)
InChIKey
KVEKWJFZEDRDDK-UHFFFAOYSA-N
Compound name
N-[3-hydroxy-3-(oxan-4-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.15796 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 178.1
[M+Na]+ 353.14718 180.2
[M-H]- 329.15068 185.3
[M+NH4]+ 348.19178 187.4
[M+K]+ 369.12112 179.2
[M+H-H2O]+ 313.15522 168.9
[M+HCOO]- 375.15616 194.2
[M+CH3COO]- 389.17181 206.2
[M+Na-2H]- 351.13263 179.2
[M]+ 330.15741 175.7
[M]- 330.15851 175.7
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.