CID 42323

57462-71-2

Structural Information

Molecular Formula
C20H23ClN2O2
SMILES
CCN(CC)CCN1C2=C(C=CC(=C2)Cl)OC(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C20H23ClN2O2/c1-3-22(4-2)12-13-23-17-14-16(21)10-11-18(17)25-19(20(23)24)15-8-6-5-7-9-15/h5-11,14,19H,3-4,12-13H2,1-2H3
InChIKey
BFDDDUYZNUEICL-UHFFFAOYSA-N
Compound name
6-chloro-4-[2-(diethylamino)ethyl]-2-phenyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1448 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.152076 187.4
[M+Na]+ 381.134018 194.7
[M-H]- 357.137524 194.7
[M+NH4]+ 376.178623 199.8
[M+K]+ 397.107958 190.2
[M+H-H2O]+ 341.142060 178.0
[M+HCOO]- 403.143001 201.7
[M+CH3COO]- 417.158651 220.8
[M+Na-2H]- 379.119466 190.1
[M]+ 358.14425142 191.9
[M]- 358.14534858 191.9
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.