CID 42337

4h-1,4-benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(2-(dimethylamino)propyl)-2-ethyl-, oxalate

Structural Information

Molecular Formula
C15H21ClN2O2
SMILES
CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)N(C)C
InChI
InChI=1S/C15H21ClN2O2/c1-5-13-15(19)18(9-10(2)17(3)4)12-8-11(16)6-7-14(12)20-13/h6-8,10,13H,5,9H2,1-4H3
InChIKey
SBYCYPUVMGEOIX-UHFFFAOYSA-N
Compound name
6-chloro-4-[2-(dimethylamino)propyl]-2-ethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12915 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.136426 169.6
[M+Na]+ 319.118368 177.5
[M-H]- 295.121874 174.4
[M+NH4]+ 314.162973 185.1
[M+K]+ 335.092308 175.2
[M+H-H2O]+ 279.126410 162.6
[M+HCOO]- 341.127351 183.3
[M+CH3COO]- 355.143001 211.0
[M+Na-2H]- 317.103816 171.7
[M]+ 296.12860142 174.4
[M]- 296.12969858 174.4
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.