CID 3013313

Oprea1_090201

Structural Information

Molecular Formula
C20H13ClN2O2
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C20H13ClN2O2/c21-16-9-5-4-8-15(16)19(24)22-14-10-11-18-17(12-14)23-20(25-18)13-6-2-1-3-7-13/h1-12H,(H,22,24)
InChIKey
FJQWESVUSMKQLW-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.