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]+ 359.15208 187.4
[M+Na]+ 381.13402 194.7
[M-H]- 357.13752 194.7
[M+NH4]+ 376.17862 199.8
[M+K]+ 397.10796 190.2
[M+H-H2O]+ 341.14206 178.0
[M+HCOO]- 403.14300 201.7
[M+CH3COO]- 417.15865 220.8
[M+Na-2H]- 379.11947 190.1
[M]+ 358.14425 191.9
[M]- 358.14535 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.