CID 48169

66843-11-6

Structural Information

Molecular Formula
C21H22N2O4
SMILES
C1=CC=C(C=C1)CCC2(C(=O)NC(=O)NC2=O)CCCOC3=CC=CC=C3
InChI
InChI=1S/C21H22N2O4/c24-18-21(19(25)23-20(26)22-18,14-12-16-8-3-1-4-9-16)13-7-15-27-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H2,22,23,24,25,26)
InChIKey
YOFGLMHISYPXAU-UHFFFAOYSA-N
Compound name
5-(3-phenoxypropyl)-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.15796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16524 188.5
[M+Na]+ 389.14718 193.4
[M-H]- 365.15068 191.8
[M+NH4]+ 384.19178 197.7
[M+K]+ 405.12112 186.9
[M+H-H2O]+ 349.15522 177.8
[M+HCOO]- 411.15616 203.0
[M+CH3COO]- 425.17181 209.6
[M+Na-2H]- 387.13263 190.5
[M]+ 366.15741 185.3
[M]- 366.15851 185.3
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.