CID 56418

92440-69-2

Structural Information

Molecular Formula
C14H17N3O4
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=O)N(C)C
InChI
InChI=1S/C14H17N3O4/c1-4-21-10-7-5-9(6-8-10)17-13(19)11(16(2)3)12(18)15-14(17)20/h5-8,11H,4H2,1-3H3,(H,15,18,20)
InChIKey
ZKALQLMVXAIBID-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.12192 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12920 165.5
[M+Na]+ 314.11114 172.9
[M-H]- 290.11464 169.7
[M+NH4]+ 309.15574 178.1
[M+K]+ 330.08508 170.4
[M+H-H2O]+ 274.11918 156.6
[M+HCOO]- 336.12012 184.2
[M+CH3COO]- 350.13577 206.4
[M+Na-2H]- 312.09659 166.5
[M]+ 291.12137 165.6
[M]- 291.12247 165.6
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.