CID 48438

Brn 0323832

Structural Information

Molecular Formula
C17H22N2O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CCC2=CC(=CC=C2)OC)CC
InChI
InChI=1S/C17H22N2O4/c1-4-17(5-2)14(20)18-16(22)19(15(17)21)10-9-12-7-6-8-13(11-12)23-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,20,22)
InChIKey
YCTISSXMLCTXEC-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-[2-(3-methoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.15796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16524 173.7
[M+Na]+ 341.14718 181.6
[M-H]- 317.15068 176.3
[M+NH4]+ 336.19178 187.0
[M+K]+ 357.12112 177.5
[M+H-H2O]+ 301.15522 165.5
[M+HCOO]- 363.15616 189.9
[M+CH3COO]- 377.17181 206.4
[M+Na-2H]- 339.13263 174.8
[M]+ 318.15741 174.8
[M]- 318.15851 174.8
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.