CID 117244

Brn 3106462

Structural Information

Molecular Formula
C18H20N2O4
SMILES
CC(COC(=O)N)(COC(=O)NC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H20N2O4/c1-18(12-23-16(19)21,14-8-4-2-5-9-14)13-24-17(22)20-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,19,21)(H,20,22)
InChIKey
KHYQRBMKDBGYKN-UHFFFAOYSA-N
Compound name
(3-carbamoyloxy-2-methyl-2-phenylpropyl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1423 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14958 176.9
[M+Na]+ 351.13152 180.1
[M-H]- 327.13502 182.3
[M+NH4]+ 346.17612 189.0
[M+K]+ 367.10546 177.8
[M+H-H2O]+ 311.13956 168.1
[M+HCOO]- 373.14050 199.0
[M+CH3COO]- 387.15615 210.2
[M+Na-2H]- 349.11697 181.2
[M]+ 328.14175 177.1
[M]- 328.14285 177.1
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.