CID 3003726

3-[(2e)-2-benzylidene-5-oxo-oxazol-4-yl]propanamide

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C1=CC=C(C=C1)/C=C/2\N=C(C(=O)O2)CCC(=O)N
InChI
InChI=1S/C13H12N2O3/c14-11(16)7-6-10-13(17)18-12(15-10)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,16)/b12-8+
InChIKey
QKHLMONELMXNPR-XYOKQWHBSA-N
Compound name
3-[(2E)-2-benzylidene-5-oxo-1,3-oxazol-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 154.3
[M+Na]+ 267.07402 161.7
[M-H]- 243.07752 160.0
[M+NH4]+ 262.11862 170.0
[M+K]+ 283.04796 159.1
[M+H-H2O]+ 227.08206 146.6
[M+HCOO]- 289.08300 176.7
[M+CH3COO]- 303.09865 192.5
[M+Na-2H]- 265.05947 156.9
[M]+ 244.08425 154.0
[M]- 244.08535 154.0
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.