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]+ 292.165576 169.7
[M+Na]+ 314.147518 173.2
[M-H]- 290.151024 176.1
[M+NH4]+ 309.192123 182.0
[M+K]+ 330.121458 173.2
[M+H-H2O]+ 274.155560 159.9
[M+HCOO]- 336.156501 191.0
[M+CH3COO]- 350.172151 207.2
[M+Na-2H]- 312.132966 174.2
[M]+ 291.15775142 170.3
[M]- 291.15884858 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.