CID 122444668

Ab-8939

Structural Information

Molecular Formula
C22H24N4O3
SMILES
CCOCC1=CC(=C(C=C1)C)NC2=NC=C(O2)C3=CC=C(C=C3)N4CCNC4=O
InChI
InChI=1S/C22H24N4O3/c1-3-28-14-16-5-4-15(2)19(12-16)25-21-24-13-20(29-21)17-6-8-18(9-7-17)26-11-10-23-22(26)27/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,23,27)(H,24,25)
InChIKey
ZBAFYGYLXHEICJ-UHFFFAOYSA-N
Compound name
1-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

392.18484 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.19212 195.9
[M+Na]+ 415.17406 208.5
[M+NH4]+ 410.21866 201.3
[M+K]+ 431.14800 205.8
[M-H]- 391.17756 202.4
[M+Na-2H]- 413.15951 202.8
[M]+ 392.18429 199.3
[M]- 392.18539 199.3
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

patents stripe