CID 5277385

Ethyl n-[4-[benzyl(phenethyl)amino]-2-methyl-1,3-benzoxazol-6-yl]carbamate

Structural Information

Molecular Formula
C26H27N3O3
SMILES
CCOC(=O)NC1=CC(=C2C(=C1)OC(=N2)C)N(CCC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C26H27N3O3/c1-3-31-26(30)28-22-16-23(25-24(17-22)32-19(2)27-25)29(18-21-12-8-5-9-13-21)15-14-20-10-6-4-7-11-20/h4-13,16-17H,3,14-15,18H2,1-2H3,(H,28,30)
InChIKey
RNDFUGOXWOSZOD-UHFFFAOYSA-N
Compound name
ethyl N-[4-[benzyl(2-phenylethyl)amino]-2-methyl-1,3-benzoxazol-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.20523 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.21251 206.9
[M+Na]+ 452.19445 212.4
[M-H]- 428.19795 218.1
[M+NH4]+ 447.23905 216.1
[M+K]+ 468.16839 208.8
[M+H-H2O]+ 412.20249 195.6
[M+HCOO]- 474.20343 230.2
[M+CH3COO]- 488.21908 235.2
[M+Na-2H]- 450.17990 209.7
[M]+ 429.20468 213.0
[M]- 429.20578 213.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.