CID 3061222

Brn 4538845

Structural Information

Molecular Formula
C19H16ClNO3
SMILES
CC(C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)Cl)C(=O)OC
InChI
InChI=1S/C19H16ClNO3/c1-12(19(22)23-2)13-3-5-14(6-4-13)17-11-18(24-21-17)15-7-9-16(20)10-8-15/h3-12H,1-2H3
InChIKey
BBUBYEQHBDTVHX-UHFFFAOYSA-N
Compound name
methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.08188 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08916 178.9
[M+Na]+ 364.07110 187.8
[M-H]- 340.07460 188.5
[M+NH4]+ 359.11570 192.1
[M+K]+ 380.04504 183.7
[M+H-H2O]+ 324.07914 170.6
[M+HCOO]- 386.08008 195.7
[M+CH3COO]- 400.09573 208.9
[M+Na-2H]- 362.05655 179.6
[M]+ 341.08133 184.8
[M]- 341.08243 184.8
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.