CID 11035327

Chembl517120

Structural Information

Molecular Formula
C21H16N2O3
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O3/c24-21(25-14-15-7-3-1-4-8-15)22-17-11-12-19-18(13-17)23-20(26-19)16-9-5-2-6-10-16/h1-13H,14H2,(H,22,24)
InChIKey
YGJOHEYZLNNVOG-UHFFFAOYSA-N
Compound name
benzyl N-(2-phenyl-1,3-benzoxazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

344.1161 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12338 179.4
[M+Na]+ 367.10532 187.4
[M-H]- 343.10882 189.9
[M+NH4]+ 362.14992 191.8
[M+K]+ 383.07926 183.2
[M+H-H2O]+ 327.11336 169.5
[M+HCOO]- 389.11430 203.1
[M+CH3COO]- 403.12995 190.9
[M+Na-2H]- 365.09077 185.8
[M]+ 344.11555 183.0
[M]- 344.11665 183.0
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.