CID 4237

Mofezolac

Structural Information

Molecular Formula
C19H17NO5
SMILES
COC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CC(=O)O
InChI
InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
InChIKey
DJEIHHYCDCTAAH-UHFFFAOYSA-N
Compound name
2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

53
References

5764
Patents

339.1107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 178.4
[M+Na]+ 362.09992 192.6
[M+NH4]+ 357.14452 184.5
[M+K]+ 378.07386 188.7
[M-H]- 338.10342 183.6
[M+Na-2H]- 360.08537 185.9
[M]+ 339.11015 181.9
[M]- 339.11125 181.9
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