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 185.6
[M+Na]+ 381.13402 201.0
[M+NH4]+ 376.17862 194.1
[M+K]+ 397.10796 191.9
[M-H]- 357.13752 192.4
[M+Na-2H]- 379.11947 192.5
[M]+ 358.14425 190.2
[M]- 358.14535 190.2
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.