CID 87662

Brn 1597028

Structural Information

Molecular Formula
C21H24N2O3
SMILES
C1=CC=C(C=C1)C2=C(OC(=N2)N(CCCO)CCCO)C3=CC=CC=C3
InChI
InChI=1S/C21H24N2O3/c24-15-7-13-23(14-8-16-25)21-22-19(17-9-3-1-4-10-17)20(26-21)18-11-5-2-6-12-18/h1-6,9-12,24-25H,7-8,13-16H2
InChIKey
YRAGHKMADVTNKM-UHFFFAOYSA-N
Compound name
3-[(4,5-diphenyl-1,3-oxazol-2-yl)-(3-hydroxypropyl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 187.2
[M+Na]+ 375.16790 199.9
[M+NH4]+ 370.21250 193.8
[M+K]+ 391.14184 194.4
[M-H]- 351.17140 193.6
[M+Na-2H]- 373.15335 195.1
[M]+ 352.17813 190.8
[M]- 352.17923 190.8
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

No patent data available for this compound.