CID 57882

Ethyl 4-(diethylcarbamoyloxy)-3,5-dipropylbenzoate

Structural Information

Molecular Formula
C20H31NO4
SMILES
CCCC1=CC(=CC(=C1OC(=O)N(CC)CC)CCC)C(=O)OCC
InChI
InChI=1S/C20H31NO4/c1-6-11-15-13-17(19(22)24-10-5)14-16(12-7-2)18(15)25-20(23)21(8-3)9-4/h13-14H,6-12H2,1-5H3
InChIKey
PCNNKDOJZBGEEW-UHFFFAOYSA-N
Compound name
ethyl 4-(diethylcarbamoyloxy)-3,5-dipropylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2253 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.23258 187.7
[M+Na]+ 372.21452 192.5
[M-H]- 348.21802 192.0
[M+NH4]+ 367.25912 201.8
[M+K]+ 388.18846 191.5
[M+H-H2O]+ 332.22256 179.8
[M+HCOO]- 394.22350 209.4
[M+CH3COO]- 408.23915 222.3
[M+Na-2H]- 370.19997 185.2
[M]+ 349.22475 196.2
[M]- 349.22585 196.2
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.