CID 213072

Brn 3111028

Structural Information

Molecular Formula
C23H22N2O4
SMILES
C1=CC=C(C=C1)C(COC(=O)N)(COC(=O)NC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H22N2O4/c24-21(26)28-16-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)17-29-22(27)25-20-14-8-3-9-15-20/h1-15H,16-17H2,(H2,24,26)(H,25,27)
InChIKey
ILFFTYFQSYLCRH-UHFFFAOYSA-N
Compound name
(3-carbamoyloxy-2,2-diphenylpropyl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.15796 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.16524 192.5
[M+Na]+ 413.14718 194.6
[M-H]- 389.15068 200.5
[M+NH4]+ 408.19178 201.3
[M+K]+ 429.12112 190.9
[M+H-H2O]+ 373.15522 182.1
[M+HCOO]- 435.15616 214.0
[M+CH3COO]- 449.17181 221.2
[M+Na-2H]- 411.13263 197.0
[M]+ 390.15741 191.7
[M]- 390.15851 191.7
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.