CID 431703

2-(2-hydroxyphenyl)-4-(2-(4-morpholinyl)ethyl)-4h-1,3,4-oxadiazin-5(6h)-one

Structural Information

Molecular Formula
C15H19N3O4
SMILES
C1COCCN1CCN2C(=O)COC(=N2)C3=CC=CC=C3O
InChI
InChI=1S/C15H19N3O4/c19-13-4-2-1-3-12(13)15-16-18(14(20)11-22-15)6-5-17-7-9-21-10-8-17/h1-4,19H,5-11H2
InChIKey
RZAGCMQRLKRABV-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenyl)-4-(2-morpholin-4-ylethyl)-1,3,4-oxadiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.13754 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14482 173.4
[M+Na]+ 328.12676 178.2
[M-H]- 304.13026 177.8
[M+NH4]+ 323.17136 179.8
[M+K]+ 344.10070 176.4
[M+H-H2O]+ 288.13480 162.0
[M+HCOO]- 350.13574 184.9
[M+CH3COO]- 364.15139 181.8
[M+Na-2H]- 326.11221 176.4
[M]+ 305.13699 169.9
[M]- 305.13809 169.9
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.