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 197.2
[M+Na]+ 422.24142 202.2
[M-H]- 398.24492 201.5
[M+NH4]+ 417.28602 208.0
[M+K]+ 438.21536 198.4
[M+H-H2O]+ 382.24946 187.8
[M+HCOO]- 444.25040 213.4
[M+CH3COO]- 458.26605 232.9
[M+Na-2H]- 420.22687 194.5
[M]+ 399.25165 200.0
[M]- 399.25275 200.0
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.