CID 52173

Brn 0566053

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CC(=CCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C21H20N2O3/c1-15(2)13-14-18-19(24)22(16-9-5-3-6-10-16)21(26)23(20(18)25)17-11-7-4-8-12-17/h3-13,18H,14H2,1-2H3
InChIKey
DJYKVVADYPSQRV-UHFFFAOYSA-N
Compound name
5-(3-methylbut-2-enyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1474 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.154676 183.7
[M+Na]+ 371.136618 190.7
[M-H]- 347.140124 190.4
[M+NH4]+ 366.181223 193.7
[M+K]+ 387.110558 184.7
[M+H-H2O]+ 331.144660 173.0
[M+HCOO]- 393.145601 200.2
[M+CH3COO]- 407.161251 214.6
[M+Na-2H]- 369.122066 182.8
[M]+ 348.14685142 181.9
[M]- 348.14794858 181.9
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.