CID 42303

4h-1,4-benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-methylaminoethyl)-, hydrochloride

Structural Information

Molecular Formula
C12H15ClN2O2
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCNC
InChI
InChI=1S/C12H15ClN2O2/c1-8-12(16)15(6-5-14-2)10-7-9(13)3-4-11(10)17-8/h3-4,7-8,14H,5-6H2,1-2H3
InChIKey
UCAHPYHVDIRWJP-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0822 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08948 156.3
[M+Na]+ 277.07142 165.7
[M-H]- 253.07492 160.0
[M+NH4]+ 272.11602 173.0
[M+K]+ 293.04536 162.1
[M+H-H2O]+ 237.07946 149.9
[M+HCOO]- 299.08040 171.5
[M+CH3COO]- 313.09605 197.7
[M+Na-2H]- 275.05687 161.8
[M]+ 254.08165 159.3
[M]- 254.08275 159.3
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.