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

31
Patents

265.07388 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.081156 157.7
[M+Na]+ 288.063098 166.0
[M-H]- 264.066604 166.2
[M+NH4]+ 283.107703 172.1
[M+K]+ 304.037038 162.8
[M+H-H2O]+ 248.071140 149.5
[M+HCOO]- 310.072081 179.7
[M+CH3COO]- 324.087731 170.3
[M+Na-2H]- 286.048546 162.1
[M]+ 265.07333142 158.7
[M]- 265.07442858 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