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]+ 406.212506 199.0
[M+Na]+ 428.194448 204.9
[M-H]- 404.197954 206.6
[M+NH4]+ 423.239053 208.8
[M+K]+ 444.168388 199.7
[M+H-H2O]+ 388.202490 187.4
[M+HCOO]- 450.203431 217.0
[M+CH3COO]- 464.219081 231.0
[M+Na-2H]- 426.179896 198.9
[M]+ 405.20468142 199.7
[M]- 405.20577858 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.