CID 11625114

Ave-8134

Structural Information

Molecular Formula
C22H23NO5
SMILES
CC1=C(C(=CC=C1)COCCCOCC2=COC(=N2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C22H23NO5/c1-16-7-5-10-18(20(16)22(24)25)13-26-11-6-12-27-14-19-15-28-21(23-19)17-8-3-2-4-9-17/h2-5,7-10,15H,6,11-14H2,1H3,(H,24,25)
InChIKey
WLHOBCUVPMOXAT-UHFFFAOYSA-N
Compound name
2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

164
Patents

381.15762 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16490 192.2
[M+Na]+ 404.14684 205.3
[M+NH4]+ 399.19144 197.7
[M+K]+ 420.12078 200.5
[M-H]- 380.15034 197.1
[M+Na-2H]- 402.13229 198.9
[M]+ 381.15707 195.4
[M]- 381.15817 195.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe