CID 3062299

Brn 4560207

Structural Information

Molecular Formula
C19H16ClNO4
SMILES
COC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)OC)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H16ClNO4/c1-23-16(22)11-12-3-5-14(6-4-12)18-21-17(19(24-2)25-18)13-7-9-15(20)10-8-13/h3-10H,11H2,1-2H3
InChIKey
KWZIMDSLCKWYJU-UHFFFAOYSA-N
Compound name
methyl 2-[4-[4-(4-chlorophenyl)-5-methoxy-1,3-oxazol-2-yl]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07678 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.084056 181.9
[M+Na]+ 380.065998 191.7
[M-H]- 356.069504 191.8
[M+NH4]+ 375.110603 194.7
[M+K]+ 396.039938 187.8
[M+H-H2O]+ 340.074040 173.3
[M+HCOO]- 402.074981 199.7
[M+CH3COO]- 416.090631 211.3
[M+Na-2H]- 378.051446 183.1
[M]+ 357.07623142 190.0
[M]- 357.07732858 190.0
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.