CID 3062290

Brn 4544991

Structural Information

Molecular Formula
C18H14ClNO4
SMILES
COC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H14ClNO4/c1-23-18-16(12-6-8-14(19)9-7-12)20-17(24-18)13-4-2-11(3-5-13)10-15(21)22/h2-9H,10H2,1H3,(H,21,22)
InChIKey
QFVFPWMJFODNIN-UHFFFAOYSA-N
Compound name
2-[4-[4-(4-chlorophenyl)-5-methoxy-1,3-oxazol-2-yl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.06113 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.068406 177.0
[M+Na]+ 366.050348 186.7
[M-H]- 342.053854 185.7
[M+NH4]+ 361.094953 189.6
[M+K]+ 382.024288 182.2
[M+H-H2O]+ 326.058390 169.0
[M+HCOO]- 388.059331 193.7
[M+CH3COO]- 402.074981 206.7
[M+Na-2H]- 364.035796 178.4
[M]+ 343.06058142 183.1
[M]- 343.06167858 183.1
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.