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]+ 265.133526 160.3
[M+Na]+ 287.115468 168.0
[M-H]- 263.118974 169.7
[M+NH4]+ 282.160073 175.4
[M+K]+ 303.089408 164.1
[M+H-H2O]+ 247.123510 151.3
[M+HCOO]- 309.124451 184.8
[M+CH3COO]- 323.140101 172.9
[M+Na-2H]- 285.100916 166.1
[M]+ 264.12570142 161.2
[M]- 264.12679858 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