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]+ 297.136426 169.9
[M+Na]+ 319.118368 178.2
[M-H]- 295.121874 174.6
[M+NH4]+ 314.162973 185.6
[M+K]+ 335.092308 175.3
[M+H-H2O]+ 279.126410 162.7
[M+HCOO]- 341.127351 184.7
[M+CH3COO]- 355.143001 210.1
[M+Na-2H]- 317.103816 173.1
[M]+ 296.12860142 175.3
[M]- 296.12969858 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.