CID 213059

1,3-propanediol, 2,2-dibenzyl-, dicarbamate

Structural Information

Molecular Formula
C19H22N2O4
SMILES
C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C19H22N2O4/c20-17(22)24-13-19(14-25-18(21)23,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,20,22)(H2,21,23)
InChIKey
KMVDKBLIWZGDTG-UHFFFAOYSA-N
Compound name
(2,2-dibenzyl-3-carbamoyloxypropyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15796 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 182.1
[M+Na]+ 365.14718 190.8
[M+NH4]+ 360.19178 187.1
[M+K]+ 381.12112 186.1
[M-H]- 341.15068 184.5
[M+Na-2H]- 363.13263 188.1
[M]+ 342.15741 183.6
[M]- 342.15851 183.6
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.