CID 3061218

Brn 4521075

Structural Information

Molecular Formula
C18H14ClNO3
SMILES
COC(=O)CC1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H14ClNO3/c1-22-18(21)10-12-2-4-13(5-3-12)16-11-17(23-20-16)14-6-8-15(19)9-7-14/h2-9,11H,10H2,1H3
InChIKey
YXOHVZBNDVEPAW-UHFFFAOYSA-N
Compound name
methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.06622 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.073496 174.7
[M+Na]+ 350.055438 184.3
[M-H]- 326.058944 184.3
[M+NH4]+ 345.100043 188.5
[M+K]+ 366.029378 179.8
[M+H-H2O]+ 310.063480 166.2
[M+HCOO]- 372.064421 192.7
[M+CH3COO]- 386.080071 186.9
[M+Na-2H]- 348.040886 176.9
[M]+ 327.06567142 180.7
[M]- 327.06676858 180.7
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.