CID 48472

66941-20-6

Structural Information

Molecular Formula
C20H20N2O3
SMILES
C1=CC=C(C=C1)CCC2(C(=O)NC(=O)NC2=O)CCC3=CC=CC=C3
InChI
InChI=1S/C20H20N2O3/c23-17-20(18(24)22-19(25)21-17,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,21,22,23,24,25)
InChIKey
KLQRNXOMXHZXDF-UHFFFAOYSA-N
Compound name
5,5-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 181.6
[M+Na]+ 359.13662 187.3
[M-H]- 335.14012 185.2
[M+NH4]+ 354.18122 192.2
[M+K]+ 375.11056 180.2
[M+H-H2O]+ 319.14466 171.3
[M+HCOO]- 381.14560 196.3
[M+CH3COO]- 395.16125 204.5
[M+Na-2H]- 357.12207 184.0
[M]+ 336.14685 176.7
[M]- 336.14795 176.7
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

patents stripe