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]+ 324.123026 174.7
[M+Na]+ 346.104968 182.8
[M-H]- 322.108474 184.4
[M+NH4]+ 341.149573 187.6
[M+K]+ 362.078908 180.6
[M+H-H2O]+ 306.113010 165.6
[M+HCOO]- 368.113951 197.2
[M+CH3COO]- 382.129601 206.5
[M+Na-2H]- 344.090416 177.1
[M]+ 323.11520142 180.1
[M]- 323.11629858 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.