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 188.4
[M+Na]+ 394.21012 194.4
[M-H]- 370.21362 193.2
[M+NH4]+ 389.25472 200.5
[M+K]+ 410.18406 191.0
[M+H-H2O]+ 354.21816 179.4
[M+HCOO]- 416.21910 205.4
[M+CH3COO]- 430.23475 227.1
[M+Na-2H]- 392.19557 186.8
[M]+ 371.22035 190.5
[M]- 371.22145 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.