CID 54054

Bb 20

Structural Information

Molecular Formula
C23H33N3O3
SMILES
CCN(CC)CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)(CC=C)C(C)C
InChI
InChI=1S/C23H33N3O3/c1-6-14-23(18(4)5)20(27)25(16-15-24(7-2)8-3)22(29)26(21(23)28)17-19-12-10-9-11-13-19/h6,9-13,18H,1,7-8,14-17H2,2-5H3
InChIKey
DNVOOBWRRZJYSW-UHFFFAOYSA-N
Compound name
1-benzyl-3-[2-(diethylamino)ethyl]-5-propan-2-yl-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

399.2522 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.25948 199.4
[M+Na]+ 422.24142 209.5
[M+NH4]+ 417.28602 204.8
[M+K]+ 438.21536 201.3
[M-H]- 398.24492 201.0
[M+Na-2H]- 420.22687 203.7
[M]+ 399.25165 201.1
[M]- 399.25275 201.1
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.