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]+ 251.11789 156.1
[M+Na]+ 273.09983 164.3
[M-H]- 249.10333 165.2
[M+NH4]+ 268.14443 171.6
[M+K]+ 289.07377 160.3
[M+H-H2O]+ 233.10787 147.5
[M+HCOO]- 295.10881 180.4
[M+CH3COO]- 309.12446 168.9
[M+Na-2H]- 271.08528 161.6
[M]+ 250.11006 155.8
[M]- 250.11116 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