CID 3044024

N-(5,6-dihydro-6-(phenoxymethyl)-4h-1,3-oxazin-2-yl)-n'-ethyl-n-methylurea

Structural Information

Molecular Formula
C15H21N3O3
SMILES
CCNC(=O)N(C)C1=NCCC(O1)COC2=CC=CC=C2
InChI
InChI=1S/C15H21N3O3/c1-3-16-14(19)18(2)15-17-10-9-13(21-15)11-20-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,19)
InChIKey
LLOLNPMBJRVGEW-UHFFFAOYSA-N
Compound name
3-ethyl-1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16558 169.4
[M+Na]+ 314.14752 179.8
[M+NH4]+ 309.19212 175.9
[M+K]+ 330.12146 174.5
[M-H]- 290.15102 174.4
[M+Na-2H]- 312.13297 175.6
[M]+ 291.15775 172.0
[M]- 291.15885 172.0
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.