CID 88572

20503-78-0

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CN(CCO)C1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c1-20(12-13-21)18-19-16(14-8-4-2-5-9-14)17(22-18)15-10-6-3-7-11-15/h2-11,21H,12-13H2,1H3
InChIKey
KRSJARZIUCHGQS-UHFFFAOYSA-N
Compound name
2-[(4,5-diphenyl-1,3-oxazol-2-yl)-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 168.6
[M+Na]+ 317.12606 175.4
[M-H]- 293.12956 178.0
[M+NH4]+ 312.17066 182.3
[M+K]+ 333.10000 172.4
[M+H-H2O]+ 277.13410 159.4
[M+HCOO]- 339.13504 192.0
[M+CH3COO]- 353.15069 180.4
[M+Na-2H]- 315.11151 172.8
[M]+ 294.13629 170.7
[M]- 294.13739 170.7
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.