CID 6452381

Einecs 257-078-6

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CCN(CC)CCN1C(=O)COC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C14H19ClN2O2/c1-3-16(4-2)7-8-17-12-9-11(15)5-6-13(12)19-10-14(17)18/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKey
QZBGSXBIQPIBTF-UHFFFAOYSA-N
Compound name
6-chloro-4-[2-(diethylamino)ethyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.120776 165.1
[M+Na]+ 305.102718 172.8
[M-H]- 281.106224 169.6
[M+NH4]+ 300.147323 181.0
[M+K]+ 321.076658 170.2
[M+H-H2O]+ 265.110760 157.9
[M+HCOO]- 327.111701 180.2
[M+CH3COO]- 341.127351 205.9
[M+Na-2H]- 303.088166 169.6
[M]+ 282.11295142 169.7
[M]- 282.11404858 169.7
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.