CID 3044023

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

Structural Information

Molecular Formula
C14H19N3O3
SMILES
CNC(=O)N(C)C1=NCCC(O1)COC2=CC=CC=C2
InChI
InChI=1S/C14H19N3O3/c1-15-13(18)17(2)14-16-9-8-12(20-14)10-19-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,15,18)
InChIKey
AJCYILKYVFCXTH-UHFFFAOYSA-N
Compound name
1,3-dimethyl-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

277.14264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14992 165.1
[M+Na]+ 300.13186 169.1
[M-H]- 276.13536 171.8
[M+NH4]+ 295.17646 178.0
[M+K]+ 316.10580 169.3
[M+H-H2O]+ 260.13990 155.6
[M+HCOO]- 322.14084 186.8
[M+CH3COO]- 336.15649 204.2
[M+Na-2H]- 298.11731 170.2
[M]+ 277.14209 165.3
[M]- 277.14319 165.3
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.