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]+ 292.129196 165.5
[M+Na]+ 314.111138 172.9
[M-H]- 290.114644 169.7
[M+NH4]+ 309.155743 178.1
[M+K]+ 330.085078 170.4
[M+H-H2O]+ 274.119180 156.6
[M+HCOO]- 336.120121 184.2
[M+CH3COO]- 350.135771 206.4
[M+Na-2H]- 312.096586 166.5
[M]+ 291.12137142 165.6
[M]- 291.12246858 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.