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]+ 344.06841 177.0
[M+Na]+ 366.05035 186.7
[M-H]- 342.05385 185.7
[M+NH4]+ 361.09495 189.6
[M+K]+ 382.02429 182.2
[M+H-H2O]+ 326.05839 169.0
[M+HCOO]- 388.05933 193.7
[M+CH3COO]- 402.07498 206.7
[M+Na-2H]- 364.03580 178.4
[M]+ 343.06058 183.1
[M]- 343.06168 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.