CID 49332

67051-61-0

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CC(C1=CC=CC=C1)C2(C(=O)NC(=O)NC2=O)CCC3=CC=CC=C3
InChI
InChI=1S/C20H20N2O3/c1-14(16-10-6-3-7-11-16)20(13-12-15-8-4-2-5-9-15)17(23)21-19(25)22-18(20)24/h2-11,14H,12-13H2,1H3,(H2,21,22,23,24,25)
InChIKey
AUQJQPNCZMRCEM-UHFFFAOYSA-N
Compound name
5-(1-phenylethyl)-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1474 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 181.3
[M+Na]+ 359.13662 186.6
[M-H]- 335.14012 185.0
[M+NH4]+ 354.18122 191.8
[M+K]+ 375.11056 180.2
[M+H-H2O]+ 319.14466 171.3
[M+HCOO]- 381.14560 195.0
[M+CH3COO]- 395.16125 205.4
[M+Na-2H]- 357.12207 182.6
[M]+ 336.14685 175.8
[M]- 336.14795 175.8
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.