CID 135400604

Brn 5594123

Structural Information

Molecular Formula
C15H19N3O3
SMILES
CCC1(C(=O)NC(=NC2=CC=CC=C2OC)NC1=O)CC
InChI
InChI=1S/C15H19N3O3/c1-4-15(5-2)12(19)17-14(18-13(15)20)16-10-8-6-7-9-11(10)21-3/h6-9H,4-5H2,1-3H3,(H2,16,17,18,19,20)
InChIKey
MYLAKMGEJFMVTI-UHFFFAOYSA-N
Compound name
5,5-diethyl-2-(2-methoxyphenyl)imino-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.149916 167.2
[M+Na]+ 312.131858 174.4
[M-H]- 288.135364 169.8
[M+NH4]+ 307.176463 181.2
[M+K]+ 328.105798 170.0
[M+H-H2O]+ 272.139900 159.0
[M+HCOO]- 334.140841 185.0
[M+CH3COO]- 348.156491 201.5
[M+Na-2H]- 310.117306 170.3
[M]+ 289.14209142 164.9
[M]- 289.14318858 164.9
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.