CID 214400

33161-66-9

Structural Information

Molecular Formula
C17H16N2O
SMILES
CNCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O/c1-18-12-15-19-16(13-8-4-2-5-9-13)17(20-15)14-10-6-3-7-11-14/h2-11,18H,12H2,1H3
InChIKey
RPZSBZWDHSWYPE-UHFFFAOYSA-N
Compound name
1-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

264.12625 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 160.3
[M+Na]+ 287.11547 168.0
[M-H]- 263.11897 169.7
[M+NH4]+ 282.16007 175.4
[M+K]+ 303.08941 164.1
[M+H-H2O]+ 247.12351 151.3
[M+HCOO]- 309.12445 184.8
[M+CH3COO]- 323.14010 172.9
[M+Na-2H]- 285.10092 166.1
[M]+ 264.12570 161.2
[M]- 264.12680 161.2
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