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

202
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 179.9
[M+Na]+ 348.15702 182.4
[M-H]- 324.16052 186.8
[M+NH4]+ 343.20162 193.2
[M+K]+ 364.13096 181.2
[M+H-H2O]+ 308.16506 170.9
[M+HCOO]- 370.16600 200.7
[M+CH3COO]- 384.18165 214.9
[M+Na-2H]- 346.14247 179.5
[M]+ 325.16725 181.8
[M]- 325.16835 181.8
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