CID 3044022

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17395 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18123 174.2
[M+Na]+ 328.16317 177.3
[M-H]- 304.16667 180.5
[M+NH4]+ 323.20777 186.0
[M+K]+ 344.13711 177.1
[M+H-H2O]+ 288.17121 164.3
[M+HCOO]- 350.17215 195.2
[M+CH3COO]- 364.18780 210.1
[M+Na-2H]- 326.14862 178.2
[M]+ 305.17340 175.2
[M]- 305.17450 175.2
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.