CID 3044025

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

Structural Information

Molecular Formula
C16H23N3O3
SMILES
CC(C)NC(=O)N(C)C1=NCCC(O1)COC2=CC=CC=C2
InChI
InChI=1S/C16H23N3O3/c1-12(2)18-15(20)19(3)16-17-10-9-14(22-16)11-21-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,20)
InChIKey
DMGNQTAFCKDUOS-UHFFFAOYSA-N
Compound name
1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17395 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18123 174.6
[M+Na]+ 328.16317 177.5
[M-H]- 304.16667 181.0
[M+NH4]+ 323.20777 186.3
[M+K]+ 344.13711 177.8
[M+H-H2O]+ 288.17121 164.9
[M+HCOO]- 350.17215 194.6
[M+CH3COO]- 364.18780 211.1
[M+Na-2H]- 326.14862 177.4
[M]+ 305.17340 175.0
[M]- 305.17450 175.0
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.