CID 213189

Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CCC(CC)(COC(=O)NCC1=CC=CC=C1)COC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C23H30N2O4/c1-3-23(4-2,17-28-21(26)24-15-19-11-7-5-8-12-19)18-29-22(27)25-16-20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3,(H,24,26)(H,25,27)
InChIKey
QYIYYSRPJRXKFX-UHFFFAOYSA-N
Compound name
[2-(benzylcarbamoyloxymethyl)-2-ethylbutyl] N-benzylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.22055 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.227826 199.2
[M+Na]+ 421.209768 200.2
[M-H]- 397.213274 204.1
[M+NH4]+ 416.254373 208.7
[M+K]+ 437.183708 197.2
[M+H-H2O]+ 381.217810 189.4
[M+HCOO]- 443.218751 220.1
[M+CH3COO]- 457.234401 224.9
[M+Na-2H]- 419.195216 201.9
[M]+ 398.22000142 202.0
[M]- 398.22109858 202.0
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.