CID 42307

57462-62-1

Structural Information

Molecular Formula
C15H21ClN2O2
SMILES
CCN(CC)CCN1C2=C(C=CC(=C2)Cl)OC(C1=O)C
InChI
InChI=1S/C15H21ClN2O2/c1-4-17(5-2)8-9-18-13-10-12(16)6-7-14(13)20-11(3)15(18)19/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKey
ZIGYDJUYRUMPMB-UHFFFAOYSA-N
Compound name
6-chloro-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12915 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13643 169.9
[M+Na]+ 319.11837 178.2
[M-H]- 295.12187 174.6
[M+NH4]+ 314.16297 185.6
[M+K]+ 335.09231 175.3
[M+H-H2O]+ 279.12641 162.7
[M+HCOO]- 341.12735 184.7
[M+CH3COO]- 355.14300 210.1
[M+Na-2H]- 317.10382 173.1
[M]+ 296.12860 175.3
[M]- 296.12970 175.3
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.