CID 15307665

Diphenyl-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C16H11NO3
SMILES
C1=CC=C(C=C1)C2=C(N=C(O2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C16H11NO3/c18-16(19)13-14(11-7-3-1-4-8-11)20-15(17-13)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKey
YKZSHSBBYKLXNM-UHFFFAOYSA-N
Compound name
2,5-diphenyl-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

265.07388 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08116 157.7
[M+Na]+ 288.06310 166.0
[M-H]- 264.06660 166.2
[M+NH4]+ 283.10770 172.1
[M+K]+ 304.03704 162.8
[M+H-H2O]+ 248.07114 149.5
[M+HCOO]- 310.07208 179.7
[M+CH3COO]- 324.08773 170.3
[M+Na-2H]- 286.04855 162.1
[M]+ 265.07333 158.7
[M]- 265.07443 158.7
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

patents stripe