CID 213069

Brn 3102561

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCCCC(CC)(COC(=O)N)COC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C17H26N2O4/c1-3-5-11-17(4-2,12-22-15(18)20)13-23-16(21)19-14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3,(H2,18,20)(H,19,21)
InChIKey
OGJSHGYBRDXAFV-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-ethylhexyl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.18927 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19655 178.7
[M+Na]+ 345.17849 185.2
[M+NH4]+ 340.22309 183.0
[M+K]+ 361.15243 181.2
[M-H]- 321.18199 178.3
[M+Na-2H]- 343.16394 181.3
[M]+ 322.18872 179.0
[M]- 322.18982 179.0
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.