CID 11132641

Chembl461503

Structural Information

Molecular Formula
C21H15ClN2O3
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H15ClN2O3/c22-16-8-6-14(7-9-16)13-26-21(25)23-17-10-11-19-18(12-17)24-20(27-19)15-4-2-1-3-5-15/h1-12H,13H2,(H,23,25)
InChIKey
GVOSAFGSTSNJAB-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl N-(2-phenyl-1,3-benzoxazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

378.07712 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.08440 188.0
[M+Na]+ 401.06634 197.7
[M-H]- 377.06984 198.6
[M+NH4]+ 396.11094 200.2
[M+K]+ 417.04028 192.1
[M+H-H2O]+ 361.07438 178.6
[M+HCOO]- 423.07532 207.0
[M+CH3COO]- 437.09097 199.3
[M+Na-2H]- 399.05179 192.9
[M]+ 378.07657 194.5
[M]- 378.07767 194.5
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

No patent data available for this compound.