CID 3044528

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

Structural Information

Molecular Formula
C20H21ClN2O3
SMILES
C1COCCN1CCN2C3=C(C=CC(=C3)Cl)OC(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C20H21ClN2O3/c21-16-6-7-18-17(14-16)23(9-8-22-10-12-25-13-11-22)20(24)19(26-18)15-4-2-1-3-5-15/h1-7,14,19H,8-13H2
InChIKey
NVIPUWSZCQKYOV-UHFFFAOYSA-N
Compound name
6-chloro-4-(2-morpholin-4-ylethyl)-2-phenyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.12408 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13136 190.0
[M+Na]+ 395.11330 196.1
[M-H]- 371.11680 197.4
[M+NH4]+ 390.15790 197.7
[M+K]+ 411.08724 192.0
[M+H-H2O]+ 355.12134 178.5
[M+HCOO]- 417.12228 197.4
[M+CH3COO]- 431.13793 198.3
[M+Na-2H]- 393.09875 192.3
[M]+ 372.12353 189.3
[M]- 372.12463 189.3
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.