CID 214449

33162-00-4

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1=CC=C(C=C1)C2=C(OC(=N2)CN)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O/c17-11-14-18-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-10H,11,17H2
InChIKey
HXBYJNCNTRDVGJ-UHFFFAOYSA-N
Compound name
(4,5-diphenyl-1,3-oxazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.11061 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 156.1
[M+Na]+ 273.099828 164.3
[M-H]- 249.103334 165.2
[M+NH4]+ 268.144433 171.6
[M+K]+ 289.073768 160.3
[M+H-H2O]+ 233.107870 147.5
[M+HCOO]- 295.108811 180.4
[M+CH3COO]- 309.124461 168.9
[M+Na-2H]- 271.085276 161.6
[M]+ 250.11006142 155.8
[M]- 250.11115858 155.8
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