CID 18934

Aminochlorthenoxazine

Structural Information

Molecular Formula
C10H11ClN2O2
SMILES
C1=CC2=C(C=C1N)C(=O)NC(O2)CCCl
InChI
InChI=1S/C10H11ClN2O2/c11-4-3-9-13-10(14)7-5-6(12)1-2-8(7)15-9/h1-2,5,9H,3-4,12H2,(H,13,14)
InChIKey
PCYLDXMXEPSXFW-UHFFFAOYSA-N
Compound name
6-amino-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1315
Patents

226.0509 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05818 147.5
[M+Na]+ 249.04012 156.5
[M-H]- 225.04362 149.4
[M+NH4]+ 244.08472 164.1
[M+K]+ 265.01406 152.1
[M+H-H2O]+ 209.04816 141.7
[M+HCOO]- 271.04910 161.4
[M+CH3COO]- 285.06475 187.5
[M+Na-2H]- 247.02557 153.4
[M]+ 226.05035 146.7
[M]- 226.05145 146.7
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.