CID 1246614

Brn 5820323

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CC1=CC(=NO1)C(=O)NC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2/c1-13-11-17(20-22-13)18(21)19-16-10-6-5-9-15(16)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,21)
InChIKey
KNDVOAMVMMCGKC-UHFFFAOYSA-N
Compound name
N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

292.1212 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 168.1
[M+Na]+ 315.11042 175.3
[M-H]- 291.11392 177.6
[M+NH4]+ 310.15502 181.9
[M+K]+ 331.08436 171.7
[M+H-H2O]+ 275.11846 159.0
[M+HCOO]- 337.11940 191.7
[M+CH3COO]- 351.13505 180.0
[M+Na-2H]- 313.09587 172.3
[M]+ 292.12065 169.4
[M]- 292.12175 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.