CID 3062297

Brn 4519584

Structural Information

Molecular Formula
C16H19NO4
SMILES
CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)O)C(C)C
InChI
InChI=1S/C16H19NO4/c1-4-20-16-14(10(2)3)17-15(21-16)12-7-5-11(6-8-12)9-13(18)19/h5-8,10H,4,9H2,1-3H3,(H,18,19)
InChIKey
SCZOKIXFZGVNSA-UHFFFAOYSA-N
Compound name
2-[4-(5-ethoxy-4-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 167.0
[M+Na]+ 312.12062 174.4
[M-H]- 288.12412 172.2
[M+NH4]+ 307.16522 181.1
[M+K]+ 328.09456 172.9
[M+H-H2O]+ 272.12866 159.6
[M+HCOO]- 334.12960 186.8
[M+CH3COO]- 348.14525 200.7
[M+Na-2H]- 310.10607 167.4
[M]+ 289.13085 171.8
[M]- 289.13195 171.8
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.