CID 3044026

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

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CN(C1=NCCC(O1)COC2=CC=CC=C2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H21N3O3/c1-22(18(23)21-15-8-4-2-5-9-15)19-20-13-12-17(25-19)14-24-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,21,23)
InChIKey
DIKBPUQLJVYRNT-UHFFFAOYSA-N
Compound name
1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1583 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16558 180.7
[M+Na]+ 362.14752 183.6
[M-H]- 338.15102 189.9
[M+NH4]+ 357.19212 190.3
[M+K]+ 378.12146 182.2
[M+H-H2O]+ 322.15556 169.4
[M+HCOO]- 384.15650 201.9
[M+CH3COO]- 398.17215 215.1
[M+Na-2H]- 360.13297 185.7
[M]+ 339.15775 179.9
[M]- 339.15885 179.9
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.