CID 3044530

57462-97-2

Structural Information

Molecular Formula
C12H15ClN2O4
SMILES
CC1C(=O)N(C2=C(O1)C(=CC(=C2)N)Cl)CC(CO)O
InChI
InChI=1S/C12H15ClN2O4/c1-6-12(18)15(4-8(17)5-16)10-3-7(14)2-9(13)11(10)19-6/h2-3,6,8,16-17H,4-5,14H2,1H3
InChIKey
QQZJGXZTUPHOOV-UHFFFAOYSA-N
Compound name
6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.07202 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07930 162.7
[M+Na]+ 309.06124 171.6
[M-H]- 285.06474 163.8
[M+NH4]+ 304.10584 176.6
[M+K]+ 325.03518 168.0
[M+H-H2O]+ 269.06928 157.2
[M+HCOO]- 331.07022 173.8
[M+CH3COO]- 345.08587 199.4
[M+Na-2H]- 307.04669 164.7
[M]+ 286.07147 164.0
[M]- 286.07257 164.0
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.