CID 42335

57462-80-3

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)N(C)C
InChI
InChI=1S/C14H19ClN2O2/c1-9(16(3)4)8-17-12-7-11(15)5-6-13(12)19-10(2)14(17)18/h5-7,9-10H,8H2,1-4H3
InChIKey
PLQYMHYIDDTOKH-UHFFFAOYSA-N
Compound name
6-chloro-4-[2-(dimethylamino)propyl]-2-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.120776 164.8
[M+Na]+ 305.102718 173.2
[M-H]- 281.106224 169.8
[M+NH4]+ 300.147323 180.9
[M+K]+ 321.076658 171.1
[M+H-H2O]+ 265.110760 158.1
[M+HCOO]- 327.111701 178.9
[M+CH3COO]- 341.127351 208.1
[M+Na-2H]- 303.088166 167.4
[M]+ 282.11295142 169.2
[M]- 282.11404858 169.2
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.