CID 3013320

Chembl2262691

Structural Information

Molecular Formula
C23H19BrN2O2
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C23H19BrN2O2/c1-2-15-3-7-17(8-4-15)23-26-20-14-19(11-12-21(20)28-23)25-22(27)13-16-5-9-18(24)10-6-16/h3-12,14H,2,13H2,1H3,(H,25,27)
InChIKey
RDXUQKWELWFAQB-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

434.063 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.07028 200.1
[M+Na]+ 457.05222 210.9
[M-H]- 433.05572 212.6
[M+NH4]+ 452.09682 213.3
[M+K]+ 473.02616 199.0
[M+H-H2O]+ 417.06026 197.0
[M+HCOO]- 479.06120 220.1
[M+CH3COO]- 493.07685 212.1
[M+Na-2H]- 455.03767 204.0
[M]+ 434.06245 222.0
[M]- 434.06355 222.0
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.