CID 42311

57462-64-3

Structural Information

Molecular Formula
C15H20Cl2N2O2
SMILES
CCN(CC)CCN1C2=C(C(=C(C=C2)Cl)Cl)OC(C1=O)C
InChI
InChI=1S/C15H20Cl2N2O2/c1-4-18(5-2)8-9-19-12-7-6-11(16)13(17)14(12)21-10(3)15(19)20/h6-7,10H,4-5,8-9H2,1-3H3
InChIKey
KSHQOZNRGNZPST-UHFFFAOYSA-N
Compound name
7,8-dichloro-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

330.09018 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09746 176.0
[M+Na]+ 353.07940 185.4
[M-H]- 329.08290 180.3
[M+NH4]+ 348.12400 191.0
[M+K]+ 369.05334 181.3
[M+H-H2O]+ 313.08744 169.7
[M+HCOO]- 375.08838 185.6
[M+CH3COO]- 389.10403 215.5
[M+Na-2H]- 351.06485 177.7
[M]+ 330.08963 182.8
[M]- 330.09073 182.8
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.