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]+ 328.07350 174.7
[M+Na]+ 350.05544 184.3
[M-H]- 326.05894 184.3
[M+NH4]+ 345.10004 188.5
[M+K]+ 366.02938 179.8
[M+H-H2O]+ 310.06348 166.2
[M+HCOO]- 372.06442 192.7
[M+CH3COO]- 386.08007 186.9
[M+Na-2H]- 348.04089 176.9
[M]+ 327.06567 180.7
[M]- 327.06677 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.