CID 54056

Bb 29

Structural Information

Molecular Formula
C21H29N3O3
SMILES
CC(C)C1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CCN(C)C)CC=C
InChI
InChI=1S/C21H29N3O3/c1-6-12-21(16(2)3)18(25)23(14-13-22(4)5)20(27)24(19(21)26)15-17-10-8-7-9-11-17/h6-11,16H,1,12-15H2,2-5H3
InChIKey
BAMSUBPEVLNXLW-UHFFFAOYSA-N
Compound name
1-benzyl-3-[2-(dimethylamino)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

371.2209 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.22818 190.9
[M+Na]+ 394.21012 201.4
[M+NH4]+ 389.25472 196.6
[M+K]+ 410.18406 193.6
[M-H]- 370.21362 192.5
[M+Na-2H]- 392.19557 195.6
[M]+ 371.22035 192.6
[M]- 371.22145 192.6
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.