CID 3062302

Brn 4581332

Structural Information

Molecular Formula
C21H21NO5
SMILES
CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H21NO5/c1-4-26-21-19(15-9-11-17(24-2)12-10-15)22-20(27-21)16-7-5-14(6-8-16)13-18(23)25-3/h5-12H,4,13H2,1-3H3
InChIKey
HIUWVDFIBCZJTA-UHFFFAOYSA-N
Compound name
methyl 2-[4-[5-ethoxy-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 186.6
[M+Na]+ 390.13119 194.5
[M-H]- 366.13469 196.4
[M+NH4]+ 385.17579 198.0
[M+K]+ 406.10513 192.6
[M+H-H2O]+ 350.13923 177.1
[M+HCOO]- 412.14017 208.6
[M+CH3COO]- 426.15582 215.8
[M+Na-2H]- 388.11664 187.5
[M]+ 367.14142 194.6
[M]- 367.14252 194.6
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.