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]+ 255.089476 156.3
[M+Na]+ 277.071418 165.7
[M-H]- 253.074924 160.0
[M+NH4]+ 272.116023 173.0
[M+K]+ 293.045358 162.1
[M+H-H2O]+ 237.079460 149.9
[M+HCOO]- 299.080401 171.5
[M+CH3COO]- 313.096051 197.7
[M+Na-2H]- 275.056866 161.8
[M]+ 254.08165142 159.3
[M]- 254.08274858 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.