CID 11810560

Chembl518196

Structural Information

Molecular Formula
C21H15FN2O3
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H15FN2O3/c22-16-8-6-15(7-9-16)20-24-18-12-17(10-11-19(18)27-20)23-21(25)26-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,25)
InChIKey
HERDSLDSVRSEBR-UHFFFAOYSA-N
Compound name
benzyl N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.10666 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11394 183.2
[M+Na]+ 385.09588 192.2
[M-H]- 361.09938 192.7
[M+NH4]+ 380.14048 195.1
[M+K]+ 401.06982 187.5
[M+H-H2O]+ 345.10392 172.5
[M+HCOO]- 407.10486 205.8
[M+CH3COO]- 421.12051 194.4
[M+Na-2H]- 383.08133 188.2
[M]+ 362.10611 186.3
[M]- 362.10721 186.3
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.