CID 213071

25457-64-1

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CCC(COC(=O)N)(COC(=O)NC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H22N2O4/c1-2-19(13-24-17(20)22,15-9-5-3-6-10-15)14-25-18(23)21-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H2,20,22)(H,21,23)
InChIKey
OTFJMBVZURCIPE-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-phenylbutyl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.165236 181.4
[M+Na]+ 365.147178 184.1
[M-H]- 341.150684 186.6
[M+NH4]+ 360.191783 193.0
[M+K]+ 381.121118 181.7
[M+H-H2O]+ 325.155220 172.4
[M+HCOO]- 387.156161 203.1
[M+CH3COO]- 401.171811 213.2
[M+Na-2H]- 363.132626 185.2
[M]+ 342.15741142 182.0
[M]- 342.15850858 182.0
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.