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

14
Patents

392.18484 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.192116 193.2
[M+Na]+ 415.174058 199.6
[M-H]- 391.177564 202.2
[M+NH4]+ 410.218663 201.3
[M+K]+ 431.147998 194.5
[M+H-H2O]+ 375.182100 182.5
[M+HCOO]- 437.183041 211.5
[M+CH3COO]- 451.198691 202.2
[M+Na-2H]- 413.159506 191.2
[M]+ 392.18429142 193.8
[M]- 392.18538858 193.8
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