CID 3044405

4-(2-morpholinylmethyl)-2h-1,4-benzoxazin-3(4h)-one ethanedioate (1:1)

Structural Information

Molecular Formula
C13H16N2O3
SMILES
C1COC(CN1)CN2C(=O)COC3=CC=CC=C32
InChI
InChI=1S/C13H16N2O3/c16-13-9-18-12-4-2-1-3-11(12)15(13)8-10-7-14-5-6-17-10/h1-4,10,14H,5-9H2
InChIKey
FHUZKUJLYYMKMU-UHFFFAOYSA-N
Compound name
4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.11609 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.3
[M+Na]+ 271.10531 161.4
[M-H]- 247.10881 159.7
[M+NH4]+ 266.14991 167.7
[M+K]+ 287.07925 159.7
[M+H-H2O]+ 231.11335 147.0
[M+HCOO]- 293.11429 168.2
[M+CH3COO]- 307.12994 166.0
[M+Na-2H]- 269.09076 162.1
[M]+ 248.11554 151.3
[M]- 248.11664 151.3
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

patents stripe