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 184.9
[M+Na]+ 375.16790 189.5
[M-H]- 351.17140 192.3
[M+NH4]+ 370.21250 195.3
[M+K]+ 391.14184 185.8
[M+H-H2O]+ 335.17594 175.0
[M+HCOO]- 397.17688 205.9
[M+CH3COO]- 411.19253 213.1
[M+Na-2H]- 373.15335 187.2
[M]+ 352.17813 187.5
[M]- 352.17923 187.5
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.