CID 214424

33161-80-7

Structural Information

Molecular Formula
C18H18N2O2
SMILES
C1=CC=C(C=C1)C2=C(OC(=N2)CNCCO)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c21-12-11-19-13-16-20-17(14-7-3-1-4-8-14)18(22-16)15-9-5-2-6-10-15/h1-10,19,21H,11-13H2
InChIKey
AWUCSDPTZJFRIC-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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 167.8
[M+Na]+ 317.12606 174.4
[M-H]- 293.12956 175.6
[M+NH4]+ 312.17066 180.8
[M+K]+ 333.10000 170.1
[M+H-H2O]+ 277.13410 158.7
[M+HCOO]- 339.13504 190.7
[M+CH3COO]- 353.15069 179.1
[M+Na-2H]- 315.11151 172.8
[M]+ 294.13629 168.6
[M]- 294.13739 168.6
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.