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]+ 349.15468 183.7
[M+Na]+ 371.13662 190.7
[M-H]- 347.14012 190.4
[M+NH4]+ 366.18122 193.7
[M+K]+ 387.11056 184.7
[M+H-H2O]+ 331.14466 173.0
[M+HCOO]- 393.14560 200.2
[M+CH3COO]- 407.16125 214.6
[M+Na-2H]- 369.12207 182.8
[M]+ 348.14685 181.9
[M]- 348.14795 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.