CID 16226793

2-(morpholine-4-carbonyl)-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C13H16N2O3
SMILES
C1COCCN1C(=O)C2CNC3=CC=CC=C3O2
InChI
InChI=1S/C13H16N2O3/c16-13(15-5-7-17-8-6-15)12-9-14-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2
InChIKey
VOOLCSDQKDNYCB-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1,4-benzoxazin-2-yl(morpholin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

248.11609 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.0
[M+Na]+ 271.10531 159.9
[M-H]- 247.10881 159.1
[M+NH4]+ 266.14991 167.1
[M+K]+ 287.07925 158.7
[M+H-H2O]+ 231.11335 146.7
[M+HCOO]- 293.11429 166.9
[M+CH3COO]- 307.12994 165.3
[M+Na-2H]- 269.09076 161.4
[M]+ 248.11554 149.9
[M]- 248.11664 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.