CID 3039166

42469-39-6

Structural Information

Molecular Formula
C15H17N3O3
SMILES
CCNC(=O)C1=C(OC(=N1)C2=CC=CC=C2)C(=O)NCC
InChI
InChI=1S/C15H17N3O3/c1-3-16-13(19)11-12(14(20)17-4-2)21-15(18-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,19)(H,17,20)
InChIKey
QACJFBZCOCJCGP-UHFFFAOYSA-N
Compound name
4-N,5-N-diethyl-2-phenyl-1,3-oxazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.12698 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.134256 167.8
[M+Na]+ 310.116198 173.8
[M-H]- 286.119704 174.1
[M+NH4]+ 305.160803 181.7
[M+K]+ 326.090138 172.1
[M+H-H2O]+ 270.124240 159.2
[M+HCOO]- 332.125181 191.4
[M+CH3COO]- 346.140831 204.9
[M+Na-2H]- 308.101646 170.6
[M]+ 287.12643142 169.9
[M]- 287.12752858 169.9
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.