CID 3044524

6-chloro-2-methyl-4-(2-(4-morpholinyl)ethyl)-2h-1,4-benzoxazin-3(4h)-one monohydrochloride

Structural Information

Molecular Formula
C15H19ClN2O3
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCN3CCOCC3
InChI
InChI=1S/C15H19ClN2O3/c1-11-15(19)18(5-4-17-6-8-20-9-7-17)13-10-12(16)2-3-14(13)21-11/h2-3,10-11H,4-9H2,1H3
InChIKey
MMSDQPZWSGSQQV-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.10843 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11571 173.0
[M+Na]+ 333.09765 180.1
[M-H]- 309.10115 177.9
[M+NH4]+ 328.14225 184.0
[M+K]+ 349.07159 177.4
[M+H-H2O]+ 293.10569 163.8
[M+HCOO]- 355.10663 180.9
[M+CH3COO]- 369.12228 182.7
[M+Na-2H]- 331.08310 176.0
[M]+ 310.10788 173.3
[M]- 310.10898 173.3
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

No patent data available for this compound.