CID 217019

Brn 0631594

Structural Information

Molecular Formula
C26H24N2O3
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H24N2O3/c1-2-26(22-16-10-5-11-17-22)23(29)27(18-20-12-6-3-7-13-20)25(31)28(24(26)30)19-21-14-8-4-9-15-21/h3-17H,2,18-19H2,1H3
InChIKey
VQNRBKTXBJUHPV-UHFFFAOYSA-N
Compound name
1,3-dibenzyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.17868 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 203.3
[M+Na]+ 435.16790 210.0
[M-H]- 411.17140 212.6
[M+NH4]+ 430.21250 211.8
[M+K]+ 451.14184 203.0
[M+H-H2O]+ 395.17594 190.0
[M+HCOO]- 457.17688 219.8
[M+CH3COO]- 471.19253 211.4
[M+Na-2H]- 433.15335 203.9
[M]+ 412.17813 201.7
[M]- 412.17923 201.7
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.