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]+ 340.165576 180.7
[M+Na]+ 362.147518 183.6
[M-H]- 338.151024 189.9
[M+NH4]+ 357.192123 190.3
[M+K]+ 378.121458 182.2
[M+H-H2O]+ 322.155560 169.4
[M+HCOO]- 384.156501 201.9
[M+CH3COO]- 398.172151 215.1
[M+Na-2H]- 360.132966 185.7
[M]+ 339.15775142 179.9
[M]- 339.15884858 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.