CID 54062

Bb 40

Structural Information

Molecular Formula
C24H33N3O3
SMILES
CC(C)C1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CCN3CCCCC3)CC=C
InChI
InChI=1S/C24H33N3O3/c1-4-13-24(19(2)3)21(28)26(17-16-25-14-9-6-10-15-25)23(30)27(22(24)29)18-20-11-7-5-8-12-20/h4-5,7-8,11-12,19H,1,6,9-10,13-18H2,2-3H3
InChIKey
VCWXOUCLVJXMDG-UHFFFAOYSA-N
Compound name
1-benzyl-3-(2-piperidin-1-ylethyl)-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

411.2522 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.25948 203.5
[M+Na]+ 434.24142 206.9
[M-H]- 410.24492 207.1
[M+NH4]+ 429.28602 211.1
[M+K]+ 450.21536 201.2
[M+H-H2O]+ 394.24946 191.8
[M+HCOO]- 456.25040 213.2
[M+CH3COO]- 470.26605 227.5
[M+Na-2H]- 432.22687 199.4
[M]+ 411.25165 199.3
[M]- 411.25275 199.3
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.