CID 3061220

Brn 4530206

Structural Information

Molecular Formula
C19H17NO4
SMILES
COC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)CC(=O)OC
InChI
InChI=1S/C19H17NO4/c1-22-16-9-7-15(8-10-16)18-12-17(20-24-18)14-5-3-13(4-6-14)11-19(21)23-2/h3-10,12H,11H2,1-2H3
InChIKey
HODSKYOQIOFGMB-UHFFFAOYSA-N
Compound name
methyl 2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 174.7
[M+Na]+ 346.10497 182.8
[M-H]- 322.10847 184.4
[M+NH4]+ 341.14957 187.6
[M+K]+ 362.07891 180.6
[M+H-H2O]+ 306.11301 165.6
[M+HCOO]- 368.11395 197.2
[M+CH3COO]- 382.12960 206.5
[M+Na-2H]- 344.09042 177.1
[M]+ 323.11520 180.1
[M]- 323.11630 180.1
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.