CID 48427

Brn 0346214

Structural Information

Molecular Formula
C18H24N2O5
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CCC2=C(C=CC(=C2)OC)OC)CC
InChI
InChI=1S/C18H24N2O5/c1-5-18(6-2)15(21)19-17(23)20(16(18)22)10-9-12-11-13(24-3)7-8-14(12)25-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,21,23)
InChIKey
UAJOMZWNGUKLDS-UHFFFAOYSA-N
Compound name
1-[2-(2,5-dimethoxyphenyl)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.16852 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17580 180.0
[M+Na]+ 371.15774 188.1
[M-H]- 347.16124 182.7
[M+NH4]+ 366.20234 192.2
[M+K]+ 387.13168 184.5
[M+H-H2O]+ 331.16578 171.8
[M+HCOO]- 393.16672 196.0
[M+CH3COO]- 407.18237 213.0
[M+Na-2H]- 369.14319 180.2
[M]+ 348.16797 183.3
[M]- 348.16907 183.3
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.