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]+ 372.228176 188.4
[M+Na]+ 394.210118 194.4
[M-H]- 370.213624 193.2
[M+NH4]+ 389.254723 200.5
[M+K]+ 410.184058 191.0
[M+H-H2O]+ 354.218160 179.4
[M+HCOO]- 416.219101 205.4
[M+CH3COO]- 430.234751 227.1
[M+Na-2H]- 392.195566 186.8
[M]+ 371.22035142 190.5
[M]- 371.22144858 190.5
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.