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]+ 399.22783 199.2
[M+Na]+ 421.20977 200.2
[M-H]- 397.21327 204.1
[M+NH4]+ 416.25437 208.7
[M+K]+ 437.18371 197.2
[M+H-H2O]+ 381.21781 189.4
[M+HCOO]- 443.21875 220.1
[M+CH3COO]- 457.23440 224.9
[M+Na-2H]- 419.19522 201.9
[M]+ 398.22000 202.0
[M]- 398.22110 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.