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 169.7
[M+Na]+ 314.14752 173.2
[M-H]- 290.15102 176.1
[M+NH4]+ 309.19212 182.0
[M+K]+ 330.12146 173.2
[M+H-H2O]+ 274.15556 159.9
[M+HCOO]- 336.15650 191.0
[M+CH3COO]- 350.17215 207.2
[M+Na-2H]- 312.13297 174.2
[M]+ 291.15775 170.3
[M]- 291.15885 170.3
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.