CID 748230

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

Structural Information

Molecular Formula
C20H13ClN2O2
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H13ClN2O2/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
PNTGAQSILFVLQA-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

19
Patents

348.06656 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07384 180.6
[M+Na]+ 371.05578 190.9
[M-H]- 347.05928 191.3
[M+NH4]+ 366.10038 194.1
[M+K]+ 387.02972 184.7
[M+H-H2O]+ 331.06382 171.6
[M+HCOO]- 393.06476 199.8
[M+CH3COO]- 407.08041 192.5
[M+Na-2H]- 369.04123 185.9
[M]+ 348.06601 185.5
[M]- 348.06711 185.5
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

patents stripe