CID 10905603

Chembl472130

Structural Information

Molecular Formula
C23H19ClN2O3
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H19ClN2O3/c1-2-15-3-7-17(8-4-15)22-26-20-13-19(11-12-21(20)29-22)25-23(27)28-14-16-5-9-18(24)10-6-16/h3-13H,2,14H2,1H3,(H,25,27)
InChIKey
XMZIZVBDRXNJHQ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

406.10843 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.11571 198.1
[M+Na]+ 429.09765 207.7
[M-H]- 405.10115 208.7
[M+NH4]+ 424.14225 209.4
[M+K]+ 445.07159 201.8
[M+H-H2O]+ 389.10569 188.4
[M+HCOO]- 451.10663 216.3
[M+CH3COO]- 465.12228 208.7
[M+Na-2H]- 427.08310 201.1
[M]+ 406.10788 205.6
[M]- 406.10898 205.6
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.