CID 90020922

N-[3-(benzoyloxy)-1-methylbutyl]-n-methylbenzamide

Structural Information

Molecular Formula
C20H23NO3
SMILES
CC(CC(C)OC(=O)C1=CC=CC=C1)N(C)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H23NO3/c1-15(21(3)19(22)17-10-6-4-7-11-17)14-16(2)24-20(23)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3
InChIKey
GNWGSBJQAXZWQZ-UHFFFAOYSA-N
Compound name
4-[benzoyl(methyl)amino]pentan-2-yl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

325.1678 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 178.1
[M+Na]+ 348.15702 189.0
[M+NH4]+ 343.20162 184.7
[M+K]+ 364.13096 183.5
[M-H]- 324.16052 181.7
[M+Na-2H]- 346.14247 185.3
[M]+ 325.16725 180.5
[M]- 325.16835 180.5
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

patents stripe