CID 3013302

785836-70-6

Structural Information

Molecular Formula
C21H14ClFN2O2
SMILES
C1=CC(=CC=C1CC2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F)Cl
InChI
InChI=1S/C21H14ClFN2O2/c22-15-5-1-13(2-6-15)11-20-25-18-12-17(9-10-19(18)27-20)24-21(26)14-3-7-16(23)8-4-14/h1-10,12H,11H2,(H,24,26)
InChIKey
INLKQDWTDKRFKR-UHFFFAOYSA-N
Compound name
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

380.07278 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.08006 188.5
[M+Na]+ 403.06200 199.3
[M-H]- 379.06550 198.0
[M+NH4]+ 398.10660 200.9
[M+K]+ 419.03594 192.5
[M+H-H2O]+ 363.07004 178.4
[M+HCOO]- 425.07098 206.3
[M+CH3COO]- 439.08663 199.7
[M+Na-2H]- 401.04745 192.0
[M]+ 380.07223 193.3
[M]- 380.07333 193.3
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.