CID 54058

Bb 30

Structural Information

Molecular Formula
C24H27N3O3
SMILES
CN(C)CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)(CC=C)C3=CC=CC=C3
InChI
InChI=1S/C24H27N3O3/c1-4-15-24(20-13-9-6-10-14-20)21(28)26(17-16-25(2)3)23(30)27(22(24)29)18-19-11-7-5-8-12-19/h4-14H,1,15-18H2,2-3H3
InChIKey
UQIDVINWTTYAII-UHFFFAOYSA-N
Compound name
1-benzyl-3-[2-(dimethylamino)ethyl]-5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.20523 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 199.0
[M+Na]+ 428.19445 204.9
[M-H]- 404.19795 206.6
[M+NH4]+ 423.23905 208.8
[M+K]+ 444.16839 199.7
[M+H-H2O]+ 388.20249 187.4
[M+HCOO]- 450.20343 217.0
[M+CH3COO]- 464.21908 231.0
[M+Na-2H]- 426.17990 198.9
[M]+ 405.20468 199.7
[M]- 405.20578 199.7
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.