CID 135452348

Brn 5587130

Structural Information

Molecular Formula
C15H19N3O3
SMILES
CCC1(C(=O)NC(=NC2=CC(=CC=C2)OC)NC1=O)CC
InChI
InChI=1S/C15H19N3O3/c1-4-15(5-2)12(19)17-14(18-13(15)20)16-10-7-6-8-11(9-10)21-3/h6-9H,4-5H2,1-3H3,(H2,16,17,18,19,20)
InChIKey
GOIJTXMFIJJWGW-UHFFFAOYSA-N
Compound name
5,5-diethyl-2-(3-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]+ 290.14992 167.2
[M+Na]+ 312.13186 174.4
[M-H]- 288.13536 169.8
[M+NH4]+ 307.17646 181.2
[M+K]+ 328.10580 170.0
[M+H-H2O]+ 272.13990 159.0
[M+HCOO]- 334.14084 185.0
[M+CH3COO]- 348.15649 201.5
[M+Na-2H]- 310.11731 170.3
[M]+ 289.14209 164.9
[M]- 289.14319 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.