CID 1497004

4-bromo-n-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

Structural Information

Molecular Formula
C20H13BrN2O2
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C20H13BrN2O2/c21-15-8-6-13(7-9-15)19(24)22-16-10-11-18-17(12-16)23-20(25-18)14-4-2-1-3-5-14/h1-12H,(H,22,24)
InChIKey
QQHFBCMUVHNFJI-UHFFFAOYSA-N
Compound name
4-bromo-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

392.01605 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.02333 185.8
[M+Na]+ 415.00527 197.2
[M-H]- 391.00877 198.5
[M+NH4]+ 410.04987 200.4
[M+K]+ 430.97921 185.8
[M+H-H2O]+ 375.01331 183.2
[M+HCOO]- 437.01425 206.9
[M+CH3COO]- 451.02990 198.8
[M+Na-2H]- 412.99072 192.0
[M]+ 392.01550 206.5
[M]- 392.01660 206.5
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.