CID 3013293

Chembl390459

Structural Information

Molecular Formula
C22H17FN2O2
SMILES
C1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)NC(=O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C22H17FN2O2/c23-17-8-6-16(7-9-17)12-21(26)24-18-10-11-20-19(14-18)25-22(27-20)13-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,24,26)
InChIKey
IUGCFYKGNPZQEI-UHFFFAOYSA-N
Compound name
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

360.1274 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13468 184.8
[M+Na]+ 383.11662 193.4
[M-H]- 359.12012 194.0
[M+NH4]+ 378.16122 196.8
[M+K]+ 399.09056 187.8
[M+H-H2O]+ 343.12466 174.0
[M+HCOO]- 405.12560 206.9
[M+CH3COO]- 419.14125 195.6
[M+Na-2H]- 381.10207 189.1
[M]+ 360.12685 186.9
[M]- 360.12795 186.9
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.